SCHEMBL5344746

SCHEMBL5344746

CCOC(=O)N1CCC(c2cn(Cc3cccs3)c3ccccc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 10/20 0.60
HSD17B10 Q99714 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
BRD4 O60885 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
CHRM2 P08172 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM3 P20309 1/20 0.46
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL5341750 0.88 HRH2 (0.63) HRH2HSD17B10SMN1; SMN2BRD4MEN1
SCHEMBL7089100 0.87 HSD17B10 (0.50) HRH2HSD17B10SMN1; SMN2BRD4MEN1
SCHEMBL5346308 0.87 HRH2 (0.53) HRH2HSD17B10SMN1; SMN2BRD4MEN1
SCHEMBL5341094 0.85 HRH2 (0.61) HRH2SMN1; SMN2KDM4EALDH1A1HTR2A
SCHEMBL5347587 0.84 CYP1A2 (0.50) HRH2SMN1; SMN2KDM4EALDH1A1HTR2A
SCHEMBL14559252 0.84 KDM4E (0.51) HRH2HSD17B10SMN1; SMN2MEN1KMT2A
SCHEMBL5344670 0.83 ALDH1A1 (0.49) HRH2SMN1; SMN2KDM4EALDH1A1HTR2A
SCHEMBL5349348 0.82 HRH2 (0.60) HRH2SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL4063089 0.82 HRH2 (0.55) HRH2HSD17B10KDM4EALDH1A1HTR2A
SCHEMBL5352704 0.82 HTR2A (0.61) HRH2SMN1; SMN2MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189741-B2 Indolylpiperidine derivatives as antihistaminic and antiallergic agents ALMIRALL PRODESFARMA S.A. (ES) 2007-03-13 US disclosed
EP-1330453-B1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA SA (ES) 2006-03-29 EP disclosed
US-20040116471-A1 Indolylpiperidine derivatives as antihistaminic aand antiallergic agents ALMIRALL PRODESFARMA S.A. (ES) 2004-06-17 US disclosed
EP-1330453-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS Almirall Prodesfarma, S.A. (ES) 2003-07-30 EP disclosed
WO-2002036589-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA S.A. (ES) 2002-05-10 WO disclosed