SCHEMBL6340878

SCHEMBL6340878

CCCOCCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCN3C=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.54
CCR5 P51681 17/20 0.45
CCR7 P32248 1/20 0.41
CCR3 P51677 1/20 0.40
CCR4 P51679 1/20 0.40

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
SCHEMBL3026555 0.97 CCR2 (0.54) CCR2CCR5CCR7CCR3CCR4
SCHEMBL3040104 0.96 CCR2 (0.54) CCR2CCR5CCR7CCR3CCR4
SCHEMBL6342614 0.96 CCR2 (0.56) CCR2CCR5CCR7
SCHEMBL6353159 0.95 CCR2 (0.56) CCR2CCR5CCR7
SCHEMBL3026515 0.93 CCR2 (0.56) CCR2CCR5CCR7
SCHEMBL6342915 0.92 CCR2 (0.58) CCR2CCR5CCR7
SCHEMBL6341617 0.90 CCR2 (0.55) CCR2CCR5CCR7
SCHEMBL6351792 0.90 CCR2 (0.55) CCR2CCR5CCR7
SCHEMBL6349067 0.90 CCR2 (0.53) CCR2CCR5CCR7
SCHEMBL6343597 0.89 CCR2 (0.56) 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 1 patent. 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