SCHEMBL5204042

SCHEMBL5204042

Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(N4CCCCC4)cc2C)CCS3)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.42
CCR5 P51681 11/20 0.41
PSMD14 O00487 1/20 0.39
USP2 O75604 1/20 0.39
MMP2 P08253 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MCL1 Q07820 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL5208461 0.84 CCR5 (0.53) GFERCCR5OPRM1OPRD1NPC1
SCHEMBL5210426 0.84 CCR5 (0.42) CCR5
SCHEMBL7678586 0.78 CCR5 (0.52) CCR5MEN1KMT2AKDM4EMAPT
SCHEMBL7684813 0.73 CCR5 (0.53) CCR5
SCHEMBL3499129 0.72 MCL1 (0.40) CCR5MEN1KMT2AMAPTMCL1
SCHEMBL7931723 0.72 POLB (0.41) CCR5MEN1KMT2ARAB9AKDM4E
Iodide SCHEMBL5209713 0.71 CCR5 (0.76) CCR5
SCHEMBL7685365 0.69 MRGPRX4 (0.41) CCR5MEN1KMT2ANPC1RAB9A
SCHEMBL5206801 0.69 AOC3 (0.42) CCR5MEN1KMT2ANPC1RAB9A
SCHEMBL7678558 0.68 CCR2 (0.53) CCR5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040103-B1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2007-03-14 EP disclosed
US-6413947-B1 Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-02 US disclosed
US-6166006-A Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-12-26 US disclosed