SCHEMBL11367402

SCHEMBL11367402

CNC(=NCCCSc1nc(C)co1)NC#N

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.38
HRH2 P25021 4/20 0.37
HRH1 P35367 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
QPCT Q16769 8/20 0.32

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
SCHEMBL11374563 1.00 HRH4 (0.38) HRH4HRH2HRH1HRH3BCHE
SCHEMBL11365560 0.80 HRH4 (0.38) HRH4HRH2HRH1HRH3BCHE
SCHEMBL11365565 0.80 HRH4 (0.38) HRH4HRH2HRH1HRH3BCHE
SCHEMBL11367403 0.79 HRH4 (0.46) HRH4HRH2HRH3BCHEACHE
SCHEMBL11356831 0.74 HRH4 (0.41) HRH4HRH2HRH1HRH3QPCT
SCHEMBL11354007 0.71 HRH4 (0.37) HRH4HRH2HRH1HRH3QPCT
SCHEMBL11371481 0.71 HRH4 (0.40) HRH4HRH2HRH1HRH3QPCT
SCHEMBL11362073 0.71 HRH4 (0.34) HRH4HRH2HRH1HRH3BCHE
SCHEMBL11362049 0.71 HTR7 (0.42) HRH4HRH2HRH1HRH3BCHE
SCHEMBL11362052 0.71 HTR7 (0.42) HRH4HRH2HRH1HRH3BCHE

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 10 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-4070475-A THIOALKYL-, AMINOALKYL-, AND OXYALKYL- SUBSTITUTED GUANIDINES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1978-01-24 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