SCHEMBL7813835

SCHEMBL7813835

O=C(O)COc1cccc(N2CCN(C(=O)c3cccc4ccccc34)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.57
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
KDM4E B2RXH2 2/20 0.56
ITGB3 P05106 2/20 0.56
ITGA2B P08514 2/20 0.56
HIF1A Q16665 1/20 0.56
LMNA P02545 5/20 0.53
MAPT P10636 3/20 0.53
HSD17B10 Q99714 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
HTT P42858 1/20 0.53
USP2 O75604 2/20 0.52
TSHR P16473 4/20 0.51
TP53 P04637 1/20 0.51
RAB9A P51151 2/20 0.49
DRD3 P35462 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTR1A P08908 1/20 0.48

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
SCHEMBL7817501 0.90 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AKDM4EITGB3
SCHEMBL7813512 0.89 MAPT (0.55) ALDH1A1MEN1KMT2AKDM4EHIF1A
SCHEMBL7804363 0.89 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AKDM4EHIF1A
SCHEMBL29748794 0.86 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AKDM4EHIF1A
SCHEMBL7813414 0.85 ITGB3 (0.50) ALDH1A1MEN1KMT2AKDM4EITGB3
SCHEMBL7814235 0.83 LMNA (0.71) ALDH1A1MEN1KMT2AITGB3ITGA2B
SCHEMBL27295608 0.83 ALDH1A1 (0.76) ALDH1A1MEN1KMT2AKDM4EHIF1A
SCHEMBL9011213 0.82 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AKDM4EITGB3
SCHEMBL7811681 0.82 CCR5 (0.52) ALDH1A1MEN1KMT2AKDM4EHIF1A
SCHEMBL7811597 0.81 AVPR1A (0.54) ALDH1A1MEN1KMT2AKDM4EITGB3

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