SCHEMBL7089100

SCHEMBL7089100

CCOC(=O)N1CCC(c2cn(Cc3cccs3)c3ccc(OCC)cc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HRH2 P25021 6/20 0.49
BRD4 O60885 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CHRM2 P08172 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM3 P20309 1/20 0.42
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
CYP2D6 P10635 1/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL5346308 0.93 HRH2 (0.53) HSD17B10SMN1; SMN2HRH2BRD4MEN1
SCHEMBL5344746 0.87 HRH2 (0.60) HSD17B10SMN1; SMN2HRH2BRD4MEN1
SCHEMBL5341750 0.83 HRH2 (0.63) HSD17B10SMN1; SMN2HRH2BRD4MEN1
SCHEMBL5342917 0.78 HTR2A (0.53) HSD17B10SMN1; SMN2HRH2KDM4EALDH1A1
SCHEMBL5345919 0.78 CYP1A2 (0.46) SMN1; SMN2HRH2KDM4EALDH1A1NOS1
SCHEMBL5357911 0.77 TSHR (0.54) HSD17B10HRH2MEN1KMT2AKDM4E
SCHEMBL5350384 0.75 HTR2A (0.57) HSD17B10SMN1; SMN2HRH2KDM4EALDH1A1
SCHEMBL5345507 0.75 HRH2 (0.64) HRH2
SCHEMBL5349323 0.74 HRH2 (0.65) HRH2
SCHEMBL5358649 0.74 HRH2 (0.48) HRH2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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