SCHEMBL7026286

SCHEMBL7026286

Cc1cnc(NC[C@H]2CCCN2CC2CC2)c(=O)n1CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 18/20 0.45
PRSS1 P07477 5/20 0.35
KAT2B Q92831 1/20 0.34
PRSS2 P07478 2/20 0.34
PRSS3 P35030 2/20 0.34

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 SCHEMBL7018692 0.99 F2 (0.45) F2PRSS1KAT2BPRSS2PRSS3
Hydrochloric Acid SCHEMBL7020182 0.99 F2 (0.45) F2PRSS1KAT2BPRSS2PRSS3
SCHEMBL8293357 0.89 F2 (0.41) F2PRSS1PRSS2PRSS3
SCHEMBL8490818 0.88 F2 (0.36) F2KAT2B
SCHEMBL7025837 0.87 F2 (0.41) F2PRSS1PRSS2PRSS3
SCHEMBL8292991 0.87 F2 (0.38) F2KAT2B
Hydrochloric Acid SCHEMBL7027725 0.86 F2 (0.40) F2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7026964 0.85 F2 (0.39) F2PRSS1KAT2BPRSS2PRSS3
Hydrochloric Acid SCHEMBL7017874 0.82 F2 (0.41) F2PRSS1KAT2B
Hydrochloric Acid SCHEMBL7022590 0.81 F2 (0.41) F2PRSS1KAT2B

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