SCHEMBL7317972

SCHEMBL7317972

Cc1cnc(NC[C@H](CN(C)C)c2ccccc2)c(=O)n1CC(=O)NCc1ccc2[nH]ccc2c1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.71
PRSS1 P07477 6/20 0.57
PRSS2 P07478 2/20 0.57
PRSS3 P35030 2/20 0.57
MASP2 O00187 1/20 0.49

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
SCHEMBL7671130 1.00 F2 (0.71) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7017912 0.84 F2 (0.69) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7021845 0.80 F2 (0.81) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7019506 0.74 F2 (0.55) F2PRSS1PRSS2PRSS3
SCHEMBL7024780 0.73 F2 (0.62) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7019802 0.73 F2 (0.63) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7021980 0.72 F2 (0.62) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7025567 0.72 F2 (0.62) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7992846 0.71 F2 (0.60) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7021036 0.71 F2 (0.60) F2PRSS1PRSS2PRSS3MASP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6180627-B1 INDOLE, INDAZOLE, BENZOTRIAZOLE AND BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2001-01-30 US claimed
US-6417203-B1 HETEROCYCLIC AMIDES PFIZER INC. 2002-07-09 US disclosed
US-6180627-B1 INDOLE, INDAZOLE, BENZOTRIAZOLE AND BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2001-01-30 US disclosed
EP-0997474-A1 Antithrombotic agents PFIZER INC. (US) 2000-05-03 EP disclosed