SCHEMBL6350396

SCHEMBL6350396

CCCCOC(C)Oc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCN3Cc2ccsc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.49
CCR5 P51681 17/20 0.42
CCR7 P32248 1/20 0.38
CCR3 P51677 1/20 0.37
CCR4 P51679 1/20 0.37

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
SCHEMBL6351375 0.97 CCR2 (0.49) CCR2CCR5CCR7
SCHEMBL6342709 0.92 CCR2 (0.51) CCR2CCR5CCR7CCR3CCR4
SCHEMBL6341920 0.92 CCR2 (0.51) CCR2CCR5CCR7
SCHEMBL6350218 0.91 CCR2 (0.54) CCR2CCR5CCR7CCR3CCR4
SCHEMBL6350462 0.91 CCR2 (0.49) CCR2CCR5CCR7CCR3CCR4
SCHEMBL6342640 0.91 CCR2 (0.50) CCR2CCR5CCR7CCR3CCR4
SCHEMBL3035483 0.90 CCR2 (0.51) CCR2CCR5CCR7CCR3CCR4
SCHEMBL6345294 0.89 CCR2 (0.52) CCR2CCR5CCR7CCR3CCR4
SCHEMBL6341036 0.89 CCR2 (0.47) CCR2CCR5CCR7CCR3CCR4
SCHEMBL6340001 0.89 CCR2 (0.48) 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 4 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 claimed
EP-1186604-A1 BENZAZEPINE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-03-13 EP claimed
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