SCHEMBL6351902

SCHEMBL6351902

CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCN3Cc2csc(C)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 6/20 0.50
CCR5 P51681 15/20 0.48
CCR7 P32248 2/20 0.45
CCR3 P51677 1/20 0.43
CCR4 P51679 1/20 0.43
MAPT P10636 1/20 0.38
CXCR3 P49682 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
SCHEMBL6351909 0.90 CCR2 (0.48) CCR2CCR5CCR7CCR3CCR4
SCHEMBL6339881 0.90 CCR2 (0.51) CCR2CCR5CCR7CCR3CCR4
SCHEMBL6350331 0.90 CCR2 (0.51) CCR2CCR5CCR7CCR3CCR4
SCHEMBL6350450 0.90 CCR2 (0.50) CCR2CCR5CCR7CCR3CCR4
SCHEMBL3026985 0.89 CCR2 (0.52) CCR2CCR5CCR7CCR3CCR4
SCHEMBL6340382 0.89 CCR2 (0.50) CCR2CCR5CCR7CCR3CCR4
SCHEMBL3029085 0.89 CCR2 (0.56) CCR2CCR5CCR7CCR3CCR4
SCHEMBL3027246 0.88 CCR5 (0.53) CCR2CCR5CCR7CCR3CCR4
SCHEMBL3028774 0.88 CCR2 (0.49) CCR2CCR5CCR7CCR3CCR4
SCHEMBL3035483 0.88 CCR2 (0.51) CCR2CCR5CCR7CCR3CCR4

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