SCHEMBL6204326

SCHEMBL6204326

COc1ccc(CN2CCC(NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 1.00

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
SCHEMBL8180132 0.91 CCR2 (0.83) CCR2
SCHEMBL4847797 0.91 CCR2 (0.83) CCR2
SCHEMBL4847808 0.91 CCR2 (0.83) CCR2
SCHEMBL8177323 0.90 CCR2 (0.82) CCR2
SCHEMBL6205486 0.90 CCR2 (1.00) CCR2
SCHEMBL4849931 0.89 CCR2 (0.80) CCR2
SCHEMBL4849927 0.89 CCR2 (0.80) CCR2
SCHEMBL8183256 0.89 CCR2 (0.80) CCR2
SCHEMBL8176623 0.89 CCR2 (0.80) CCR2
SCHEMBL4839378 0.89 CCR2 (1.00) CCR2

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-1553085-A1 Cyclic amine derivatives and their use as drugs TEIJIN LIMITED (JP) 2005-07-13 EP claimed
EP-1535909-A2 Cyclic amine derivatives and their use as drugs TEIJIN LIMITED (JP) 2005-06-01 EP claimed
US-6451842-B1 Cyclic amine derivatives and their use as drugs DUPONT PHARMACEUTICALS COMPANY 2002-09-17 US claimed