SCHEMBL7025837

SCHEMBL7025837

Cc1cnc(NC[C@H]2CCCN2CC(C)C)c(=O)n1CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 16/20 0.41
CHRM3 P20309 1/20 0.37
PRSS1 P07477 4/20 0.36
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
KCNJ1 P48048 1/20 0.35

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
Hydrochloric Acid SCHEMBL7027725 0.99 F2 (0.40) F2CHRM3PRSS1PRSS2PRSS3
SCHEMBL7026286 0.87 F2 (0.45) F2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7020182 0.86 F2 (0.45) F2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7018692 0.86 F2 (0.45) F2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7026964 0.84 F2 (0.39) F2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7017874 0.81 F2 (0.41) F2PRSS1
Hydrochloric Acid SCHEMBL7022590 0.80 F2 (0.41) F2PRSS1
SCHEMBL7023932 0.78 PRMT5 (0.42) F2
Hydrochloric Acid SCHEMBL7023125 0.78 F2 (0.39) F2PRSS1
SCHEMBL7022729 0.78 PRMT5 (0.42) F2

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
EP-0997474-B1 Antithrombotic agents PFIZER (US) 2003-10-29 EP disclosed
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