SCHEMBL6339060

SCHEMBL6339060

CCCOC(C)Oc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCN3Cc2cccc(OC)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.49
CCR5 P51681 15/20 0.44
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
CXCR5 P32302 1/20 0.36
CXCR3 P49682 1/20 0.36
CCR7 P32248 1/20 0.36

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
SCHEMBL6340001 0.97 CCR2 (0.48) CCR2CCR5UBE2MDCUN1D1CXCR5
SCHEMBL6350252 0.95 CCR2 (0.52) CCR2CCR5CXCR3CCR7
SCHEMBL6339463 0.93 CCR2 (0.48) CCR2CCR5CCR7
SCHEMBL6342709 0.92 CCR2 (0.51) CCR2CCR5CCR7
SCHEMBL6341920 0.91 CCR2 (0.51) CCR2CCR5CXCR5CXCR3CCR7
SCHEMBL6339026 0.90 CCR2 (0.55) CCR2CCR5CXCR3CCR7
SCHEMBL6339034 0.90 CCR2 (0.48) CCR2CCR5UBE2MDCUN1D1CXCR5
SCHEMBL6349394 0.90 CCR2 (0.51) CCR2CCR5CCR7
SCHEMBL6339055 0.89 CCR2 (0.50) CCR2CCR5CCR7
SCHEMBL6350345 0.89 CCR2 (0.49) CCR2CCR5CXCR5CXCR3CCR7

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
US-6936602-B1 Benzazepine derivatives, process for the preparation of the same and uses thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-30 US disclosed
EP-1186604-A1 BENZAZEPINE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-03-13 EP disclosed