SCHEMBL9698262

SCHEMBL9698262

CCOC(=O)N1CCC(Nc2nc3ccccc3n2Cc2cccs2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.54
HSD17B10 Q99714 3/20 0.54
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 4/20 0.53
HPGD P15428 3/20 0.53
MAPT P10636 3/20 0.53
MAPK1 P28482 2/20 0.53
TSHR P16473 2/20 0.53
ATM Q13315 1/20 0.53
LMNA P02545 2/20 0.50
GAA P10253 1/20 0.50
CHRM2 P08172 1/20 0.49
CHRM5 P08912 1/20 0.49
CHRM3 P20309 1/20 0.49
NOS2 P35228 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP2D6 P10635 1/20 0.46
HTT P42858 1/20 0.45
SSTR5 P35346 2/20 0.45

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
SCHEMBL9630499 0.97 SMN1; SMN2 (0.51) SMN1; SMN2HSD17B10KDM4EALDH1A1HPGD
SCHEMBL9630537 0.95 SMN1; SMN2 (0.50) SMN1; SMN2HSD17B10KDM4EALDH1A1HPGD
SCHEMBL10429036 0.87 NOS2 (0.52) SMN1; SMN2HSD17B10KDM4EALDH1A1HPGD
SCHEMBL8132057 0.85 KDM4E (0.52) SMN1; SMN2HSD17B10KDM4EALDH1A1HPGD
SCHEMBL7492660 0.84 ALDH1A1 (0.53) SMN1; SMN2HSD17B10KDM4EALDH1A1HPGD
SCHEMBL9564849 0.84 SMN1; SMN2 (0.50) SMN1; SMN2HSD17B10KDM4EALDH1A1HPGD
SCHEMBL7982299 0.83 ALDH1A1 (0.53) SMN1; SMN2HSD17B10KDM4EALDH1A1HPGD
Water SCHEMBL10396513 0.83 KDM4E (0.52) SMN1; SMN2HSD17B10KDM4EALDH1A1HPGD
SCHEMBL9687041 0.83 KDM4E (0.52) SMN1; SMN2HSD17B10KDM4EALDH1A1HPGD
Water SCHEMBL10396512 0.83 KDM4E (0.52) SMN1; SMN2HSD17B10KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE33833-E Intermediates for antihistamines, antiserotonine agents JANSSEN PHARMACEUTICA N.V. (BE) 1992-02-25 US disclosed
EP-0151824-B1 N-(4-PIPERIDINYL) BICYCLIC CONDENSED 2-IMIDAZOLAMINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1990-04-04 EP disclosed
US-4820822-A ANTIHISTAMINE, ANTISEROTONINE AGENTS JANSSEN PHARMACEUTICA (BE) 1989-04-11 US disclosed
US-4760074-A Novel-N-(bicyclic heterocyclyl)-4-piperidinamines JANSSEN PHARMACEUTICA N.V. (BE) 1988-07-26 US disclosed
EP-0099139-B1 NOVEL N-(BICYCLIC HETEROCYCLYL)-4-PIPERIDINAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1987-02-11 EP disclosed
US-4588722-A ANTIHISTAMINES, ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1986-05-13 US disclosed
US-4556660-A ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1985-12-03 US disclosed
EP-0151824-A2 N-(4-piperidinyl) bicyclic condensed 2-imidazolamine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1985-08-21 EP disclosed
EP-0099139-A2 Novel N-(bicyclic heterocyclyl)-4-piperidinamines JANSSEN PHARMACEUTICA N.V. (BE) 1984-01-25 EP disclosed