SCHEMBL8560648

SCHEMBL8560648

NCCCCc1nccs1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
NOS1 P29475 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FDPS P14324 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.36
CYP2C19 P33261 1/20 0.35
MAOA P21397 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
SLC6A3 Q01959 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL627047 0.98 HRH1 (0.43) HRH1ALDH1A1TSHRNOS1HSD17B10
SCHEMBL2170936 0.94
Hydrochloric Acid SCHEMBL17184529 0.92 TSHR (0.39) HRH1ALDH1A1TSHRNOS1HSD17B10
Hydrochloric Acid SCHEMBL27275786 0.92 TSHR (0.39) HRH1ALDH1A1TSHRNOS1HSD17B10
SCHEMBL659365 0.85
Oxalic Acid SCHEMBL27272135 0.83 FDPS (0.40) ALDH1A1TSHRNOS1HSD17B10FDPS
Hydrochloric Acid SCHEMBL17184356 0.83 ALDH1A1 (0.42) HRH1ALDH1A1TSHRNOS1HSD17B10
Hydrochloric Acid SCHEMBL1028586 0.83
SCHEMBL1586619 0.82 FDPS (0.37) ALDH1A1TSHRNOS1HSD17B10FDPS
SCHEMBL9132154 0.81 FDPS (0.39) ALDH1A1TSHRNOS1HSD17B10FDPS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821675-A1 NOVEL HYDROXAMIC ACID AND AMINO-CARBOXYLATE COMPOUNDS AS METALLOPROTEASE AND TNF INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-02-04 EP disclosed
WO-1996033176-A1 NOVEL HYDROXAMIC ACID AND AMINO-CARBOXYLATE COMPOUNDS AS METALLOPROTEASE AND TNF INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-10-24 WO disclosed
US-4656176-A 2-thiazolyl, oxazolyl, triazolyl and thiadiazolyl alkylamino-3-nitro-heterocyclic compounds SMITHKLINE & FRENCH LABORATORIES LIMITED (GB) 1987-04-07 US disclosed
US-4600720-A HISTAMINE H2-ANTOAGONISTS, ANTISECRETORY; THIAZOLINE, QUINAZOLINE, QUINOLINE, PYRIMIDINE DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LTD. (GB) 1986-07-15 US disclosed
US-4578459-A HISTAMINE H2-ANTAGONISTS SMITHKLINE & FRENCH LABORATORIES LIMITED (GB) 1986-03-25 US disclosed
US-4537779-A HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-08-27 US disclosed
US-4525477-A HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-06-25 US disclosed
US-4499101-A HISTAMINE H2-ANTAGONISTS; ANTISECRETORY ANTIINFLAMMOATORY AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-02-12 US disclosed
US-4470985-A HISTAMINE H-2 ANTAGONISTS SMITHKLINE & FRENCH LABORATORIES LIMITED (GB) 1984-09-11 US disclosed
US-4467087-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-08-21 US disclosed
US-4152443-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-05-01 US disclosed
US-4124717-A INHIBITORS OF H-2 HISTAMINE RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1978-11-07 US disclosed
US-4112104-A UREA, THIOUREA OR GUANIDINE DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1978-09-05 US disclosed
US-4104382-A (((THIAZOLYL-, ISOTHIAZOLYL- OR PYRIDYLALKYL)THIO)ALKYL)GUANIDINE SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1978-08-01 US disclosed
US-4104381-A HISTAMINE INHIBITORS, ((IMIDAZOLYLALKYL)AMINO)THIADIAZINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1978-08-01 US disclosed
US-4080459-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1978-03-21 US disclosed
US-4025527-A H-2 HISTAMINE RECEPTOR INHIBITORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-24 US disclosed
US-4013769-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-03-22 US disclosed
US-4005205-A PYRIMIDINE COMPOUNDS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-01-25 US disclosed
US-4000302-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-12-28 US disclosed