SCHEMBL632814

SCHEMBL632814

Cc1ccnc(OC2CCC(N(C(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C3CNC3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.47
KCNH2 Q12809 3/20 0.47

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
SCHEMBL632419 0.89 CCR2 (0.47) CCR2KCNH2
SCHEMBL632445 0.89 CCR2 (0.50) CCR2KCNH2
SCHEMBL633221 0.86 CCR2 (0.46) CCR2KCNH2
SCHEMBL632467 0.85 TRPV1 (0.45) CCR2KCNH2
SCHEMBL631721 0.85 CCR2 (0.46) CCR2KCNH2
SCHEMBL631768 0.82 CCR2 (0.45) CCR2KCNH2
SCHEMBL632403 0.82 CCR2 (0.43) CCR2KCNH2
SCHEMBL3460366 0.79 KCNH2 (0.74) CCR2KCNH2
SCHEMBL13149614 0.79 KCNH2 (0.74) CCR2KCNH2
SCHEMBL629409 0.79 CCR2 (0.53) CCR2KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2419418-A1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2012-02-22 EP disclosed
WO-2010121036-A1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 WO disclosed