SCHEMBL6344189

SCHEMBL6344189

C=CCN1CCC(C(=O)Nc2ccc(CN(C)C3CCOCC3)cc2)=Cc2cc(-c3ccc(OC(C)OCCCC)cc3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 6/20 0.51
CCR5 P51681 16/20 0.44
CCR7 P32248 2/20 0.40
CCR3 P51677 1/20 0.38
CCR4 P51679 1/20 0.38
CXCR3 P49682 2/20 0.38
CXCR5 P32302 1/20 0.38

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
SCHEMBL6349210 0.97 CCR2 (0.52) CCR2CCR5CCR7CXCR3CXCR5
SCHEMBL6350218 0.93 CCR2 (0.54) CCR2CCR5CCR7CCR3CCR4
SCHEMBL6345294 0.91 CCR2 (0.52) CCR2CCR5CCR7CCR3CCR4
SCHEMBL6341920 0.90 CCR2 (0.51) CCR2CCR5CCR7CXCR3CXCR5
SCHEMBL6342709 0.90 CCR2 (0.51) CCR2CCR5CCR7CCR3CCR4
SCHEMBL6344939 0.90 CCR2 (0.52) CCR2CCR5CCR7CXCR3
SCHEMBL6339026 0.90 CCR2 (0.55) CCR2CCR5CCR7CXCR3
SCHEMBL3032338 0.90 CCR2 (0.53) CCR2CCR5CCR7CCR3CCR4
SCHEMBL6342640 0.89 CCR2 (0.50) CCR2CCR5CCR7CCR3CCR4
SCHEMBL6344039 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