SCHEMBL7021036

SCHEMBL7021036

Cc1cnc(NC[C@H]2CCCN2CC2(C)CC2)c(=O)n1CC(=O)NCc1ccc2[nH]ccc2c1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.60
PRSS1 P07477 4/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
MASP2 O00187 1/20 0.42

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
SCHEMBL7021980 0.90 F2 (0.62) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7024780 0.89 F2 (0.62) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7022679 0.88 F2 (0.46) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7019802 0.86 F2 (0.63) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7025567 0.85 F2 (0.62) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7026174 0.84 F2 (0.60) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7992846 0.84 F2 (0.60) F2PRSS1PRSS2PRSS3MASP2
Hydrochloric Acid SCHEMBL7026964 0.78 F2 (0.39) F2PRSS1PRSS2PRSS3
SCHEMBL7020324 0.78 F2 (0.47) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7023456 0.78 F2 (0.47) 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 3 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