SCHEMBL7809741

SCHEMBL7809741

O=C(O)CCOc1ccc(C2CCN(C(=O)c3cccc4ccccc34)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
S1PR1 P21453 1/20 0.53
CCR5 P51681 1/20 0.52
ALDH1A1 P00352 5/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HCRTR1 O43613 1/20 0.48
HCRTR2 O43614 1/20 0.48
KDM4E B2RXH2 3/20 0.48
HIF1A Q16665 1/20 0.48
GCGR P47871 2/20 0.47
AVPR1A P37288 1/20 0.45
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
CHRM2 P08172 1/20 0.44
NR1D1 P20393 1/20 0.43
CASP3 P42574 1/20 0.43

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
SCHEMBL7814084 0.96 HRH1 (0.56) HRH1HRH3S1PR1CCR5ALDH1A1
SCHEMBL7817613 0.90 CCR5 (0.51) HRH1HRH3S1PR1CCR5ALDH1A1
SCHEMBL7817573 0.89 ALDH1A1 (0.59) HRH1HRH3S1PR1CCR5ALDH1A1
SCHEMBL7813354 0.86 CCR5 (0.51) HRH1HRH3S1PR1CCR5ALDH1A1
SCHEMBL9011180 0.84 CCR5 (0.55) HRH1HRH3S1PR1CCR5ALDH1A1
SCHEMBL7804406 0.83 S1PR1 (0.57) HRH1HRH3S1PR1MEN1KMT2A
SCHEMBL7804447 0.83 ALDH1A1 (0.48) CCR5ALDH1A1MEN1KMT2AKDM4E
SCHEMBL7804694 0.83 ALDH1A1 (0.56) HRH3ALDH1A1MEN1KMT2AKDM4E
SCHEMBL9011078 0.83 CCR5 (0.54) HRH1HRH3S1PR1CCR5ALDH1A1
SCHEMBL27295602 0.83 CCR5 (0.66) 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
EP-0607536-B1 Arylamide derivatives SS PHARMACEUTICAL CO (JP) 2001-01-24 EP 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