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SCHEMBL4669784

SCHEMBL4669784

CC(NC(=O)c1cccc(Cl)c1)C(=O)NC1CC2CC[C@@H](C1)N2Cc1ccc(Cl)cc1.O=C(CCNC(=O)c1cccc(Cl)c1)NC1CC2CCC(C1)N2Cc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 5/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ OPRK1 P41145 1/20 0.48
▸ CXCR6 O00574 2/20 0.47
▸ CHRM1 P11229 1/20 0.46

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
SCHEMBL4669783 1.00 CCR2 (0.50) CCR2MEN1KMT2AOPRK1CXCR6
SCHEMBL3869988 0.92 CCR2 (0.57) CCR2MEN1KMT2AOPRK1CXCR6
SCHEMBL3869066 0.92 CCR2 (0.57) CCR2MEN1KMT2AOPRK1CXCR6
SCHEMBL3869985 0.92 CCR2 (0.57) CCR2MEN1KMT2AOPRK1CXCR6
SCHEMBL3872593 0.92 CCR2 (0.57) CCR2MEN1KMT2AOPRK1CXCR6
SCHEMBL3871021 0.92 CCR2 (0.57) CCR2MEN1KMT2AOPRK1CXCR6
SCHEMBL3872597 0.92 CCR2 (0.57) CCR2MEN1KMT2AOPRK1CXCR6
SCHEMBL13686582 0.92 CCR2 (0.57) CCR2MEN1KMT2AOPRK1CXCR6
SCHEMBL3871027 0.92 CCR2 (0.57) CCR2MEN1KMT2AOPRK1CXCR6
SCHEMBL3871400 0.92 CCR2 (0.57) CCR2MEN1KMT2AOPRK1CXCR6

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-1891064-A1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS Laboratorios Almirall, S.A. (ES) 2008-02-27 — — EP claimed
WO-2006133802-A1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2006-12-21 — — WO claimed