SCHEMBL3718258

SCHEMBL3718258

Cc1cccc(Cn2c(C(=O)O)cc3cc(C(F)(F)F)ccc32)c1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 10/20 0.67
CCR9 P51686 2/20 0.53
PPARG P37231 5/20 0.51
ABCB11 O95342 1/20 0.51
ECE1 P42892 1/20 0.51
F10 P00742 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
SCHEMBL974474 0.87 CCR2 (0.69) CCR2PPARGABCB11F10
SCHEMBL1054163 0.87 NOD2 (0.55) CCR2PPARGECE1F10
SCHEMBL6300900 0.85 CCR2 (0.65) CCR2ECE1F10
SCHEMBL4206942 0.85 CCR2 (0.68) CCR2CCR9ABCB11
SCHEMBL4655319 0.84 CCR2 (0.67) CCR2CCR9PPARG
SCHEMBL3191922 0.83 CCR2 (0.76) CCR2CCR9ABCB11
SCHEMBL3198946 0.83 CCR2 (0.71) CCR2CCR9PPARGABCB11
SCHEMBL6300893 0.83 CCR2 (0.63) CCR2CCR9PPARGABCB11F10
SCHEMBL6599972 0.83 PPARG (0.68) CCR2CCR9PPARGABCB11F10
SCHEMBL3664017 0.83 CCR2 (0.55) CCR2ABCB11ECE1F10

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-2235014-B1 BICYCLIC DERIVATIVES OF AZABICYCLIC CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2013-10-09 EP disclosed
EP-2235014-A2 BICYCLIC DERIVATIVES OF AZABICYCLIC CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-10-06 EP disclosed
WO-2009112677-A2 BICYCLIC DERIVATIVES OF AZABICYCLIC CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-09-17 WO disclosed