SCHEMBL9537428

SCHEMBL9537428

NC(=S)NCCN1CCC(Cc2nc3ccccc3n2Cc2cccs2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.46
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
PYGM P11217 2/20 0.38
OPRK1 P41145 2/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRL1 P41146 1/20 0.37
OGFRL1 Q5TC84 1/20 0.37
NPC1 O15118 1/20 0.37
GALR3 O60755 1/20 0.37

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
SCHEMBL9540292 0.87 SLC6A9 (0.62) SLC6A9MAPTALDH1A1SLC6A2SLC6A4
SCHEMBL9539993 0.86 MEN1 (0.48) ALDH1A1LMNASLC6A2SLC6A4
SCHEMBL9536175 0.86 SLC6A2 (0.48) SLC6A9MAPTALDH1A1SLC6A2SLC6A4
SCHEMBL10549281 0.85 SLC6A9 (0.43) SLC6A9HPGDSMN1; SMN2KDM4EMAPT
SCHEMBL9535187 0.84 ALDH1A1 (0.45) HPGDSMN1; SMN2KDM4EMAPTTSHR
SCHEMBL10798752 0.84 SLC6A9 (0.41) SLC6A9HPGDSMN1; SMN2KDM4EMAPT
SCHEMBL9536524 0.83 MEN1 (0.47) SMN1; SMN2MAPTLMNASLC6A2SLC6A4
SCHEMBL9537145 0.83 SLC6A9 (0.53) SLC6A9HPGDSMN1; SMN2KDM4EMAPT
SCHEMBL9536956 0.83 KCNH2 (0.49) SMN1; SMN2MAPTLMNASLC6A2SLC6A4
SCHEMBL9689139 0.81 EED (0.47) HPGDSMN1; SMN2KDM4EMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0151826-B1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 EP disclosed