SCHEMBL11371268

SCHEMBL11371268

CN(C)CCN=C(NC#N)NCCNCc1nccs1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ TBXA2R P21731 1/20 0.32
▸ TBXAS1 P24557 1/20 0.32
▸ HRH4 Q9H3N8 9/20 0.32
▸ HRH2 P25021 2/20 0.32
▸ HTR7 P34969 1/20 0.30

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
SCHEMBL11371266 0.92 BCHE (0.37) BCHEACHEHRH4HRH2HTR7
SCHEMBL11371264 0.92 BCHE (0.37) BCHEACHEHRH4HRH2HTR7
SCHEMBL11367802 0.85 HRH4 (0.33) HRH4HRH2
SCHEMBL11353214 0.83 HRH4 (0.44) HRH4HRH2
SCHEMBL11367789 0.82 HRH4 (0.42) BCHEACHEHRH4HRH2
SCHEMBL11367796 0.82 HRH4 (0.42) BCHEACHEHRH4HRH2
SCHEMBL11371220 0.82 BCHE (0.39) BCHEACHETBXA2RTBXAS1HRH4
SCHEMBL11353212 0.80 ADRB2 (0.33) —
SCHEMBL11353211 0.80 ADRB2 (0.33) —
SCHEMBL11369802 0.80 HRH4 (0.40) BCHEACHETBXA2RTBXAS1HRH4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4293699-A CONTAINING A BENZIMIDAZOLE OR 3-/5,6,7,8-TETRAHYDROIMIDAZO(1,5A)PYRIDINE, ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-10-06 — — US disclosed
US-4287198-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-09-01 — — US disclosed
US-4228291-A INHIBITORS OF HISTAMINE ACTIVITY SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-10-14 — — US disclosed
US-4221802-A Pharmacologically active guanidine compounds for inhibiting H-2 histamine receptors SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-09-09 — — US disclosed
US-4154844-A ANTIHISTAMINE, GASTRIC JUICE ANTISECRETORY AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-05-15 — — US disclosed
US-4137237-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-01-30 — — US disclosed
US-4024271-A INHIBITORS OF HISTAMINE ACTIVITY SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-17 — — US disclosed
US-4022797-A PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-10 — — US disclosed
US-3950333-A HISTAMINE INHIBITORS, OXYALKYL, THIOALKYL, AMINOALKYL DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-04-13 — — US disclosed
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