SCHEMBL633221

SCHEMBL633221

O=C(NCC(=O)N(C1CCC(Oc2ccncn2)CC1)C1CNC1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 18/20 0.46
KCNH2 Q12809 10/20 0.46
CSF1R P07333 1/20 0.40
PDGFRB P09619 1/20 0.40
KIT P10721 1/20 0.40
DDR1 Q08345 1/20 0.40

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 0.90 CCR2 (0.47) CCR2KCNH2
SCHEMBL632445 0.86 CCR2 (0.50) CCR2KCNH2
SCHEMBL632814 0.86 CCR2 (0.47) CCR2KCNH2
SCHEMBL631721 0.86 CCR2 (0.46) CCR2KCNH2
SCHEMBL632467 0.83 TRPV1 (0.45) CCR2KCNH2CSF1RPDGFRBKIT
SCHEMBL632403 0.82 CCR2 (0.43) CCR2KCNH2
SCHEMBL631768 0.81 CCR2 (0.45) CCR2KCNH2
SCHEMBL629462 0.80 CCR2 (0.64) CCR2KCNH2
SCHEMBL13110025 0.79 CCR2 (0.68) CCR2KCNH2
SCHEMBL3461455 0.79 CCR2 (0.68) 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