SCHEMBL9010977

SCHEMBL9010977

O=C(O)Cc1ccc(C2CCN(C(=O)c3cccc4ccccc34)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.57
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 2/20 0.53
HIF1A Q16665 1/20 0.53
AVPR1A P37288 1/20 0.52
CHRM2 P08172 5/20 0.52
NR1H4 Q96RI1 1/20 0.50
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL9011180 0.89 CCR5 (0.55) CCR5ALDH1A1MEN1KMT2AKDM4E
SCHEMBL9011020 0.89 CCR5 (0.55) CCR5ALDH1A1MEN1KMT2AKDM4E
SCHEMBL9011078 0.88 CCR5 (0.54) CCR5ALDH1A1MEN1KMT2AKDM4E
SCHEMBL27295602 0.88 CCR5 (0.66) CCR5ALDH1A1MEN1KMT2AKDM4E
SCHEMBL7817573 0.83 ALDH1A1 (0.59) CCR5ALDH1A1MEN1KMT2AKDM4E
SCHEMBL7814084 0.81 HRH1 (0.56) CCR5ALDH1A1MEN1KMT2AKDM4E
SCHEMBL7809741 0.81 HRH1 (0.56) CCR5ALDH1A1MEN1KMT2AKDM4E
SCHEMBL9011214 0.81 ALDH1A1 (0.53) CCR5ALDH1A1MEN1KMT2AKDM4E
SCHEMBL9011065 0.81 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AKDM4EHIF1A
SCHEMBL9011116 0.80 CCR5 (0.53) CCR5ALDH1A1MEN1KMT2AKDM4E

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
CN-1035178-C Arylamide derivatives SS PHARMACEUTICAL CO (JP) 1997-06-18 CN disclosed
US-5532371-A SIDE EFFECT REDUCTION SS PHARMACEUTICAL CO., LTD. (JP) 1996-07-02 US disclosed
US-5411972-A Arylamide derivatives for treating hyperlipemia SS PHARMACEUTICAL CO., LTD. (JP) 1995-05-02 US disclosed
EP-0607536-A1 Arylamide derivatives SS PHARMACEUTICAL CO., LTD. (JP) 1994-07-27 EP disclosed