SCHEMBL9844251

SCHEMBL9844251

O=C(O)CCCCCN1CCC(=C2c3ccccc3CSc3ccccc32)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.53
FNTB P49356 1/20 0.53
DRD3 P35462 3/20 0.46
DRD2 P14416 3/20 0.46
CYP3A4 P08684 1/20 0.45
HTT P42858 1/20 0.45
SETD7 Q8WTS6 3/20 0.43
HTR1A P08908 3/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD1 P21728 1/20 0.41
TBXA2R P21731 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRM1 P35372 1/20 0.41

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
SCHEMBL9844384 1.00 FNTA (0.53) FNTAFNTBDRD3DRD2CYP3A4
SCHEMBL9844244 1.00 FNTA (0.53) FNTAFNTBDRD3DRD2CYP3A4
Hydrochloric Acid SCHEMBL9844268 0.99 FNTA (0.52) FNTAFNTBDRD3DRD2CYP3A4
Hydrochloric Acid SCHEMBL9844220 0.99 FNTA (0.52) FNTAFNTBDRD3DRD2CYP3A4
Hydrochloric Acid SCHEMBL9844527 0.99 FNTA (0.52) FNTAFNTBDRD3DRD2CYP3A4
SCHEMBL9844279 0.99 FNTA (0.54) FNTAFNTBDRD3DRD2CYP3A4
Hydrochloric Acid SCHEMBL9844374 0.98 FNTA (0.53) FNTAFNTBDRD3DRD2CYP3A4
SCHEMBL7676763 0.96 FNTA (0.55) FNTAFNTBDRD3DRD2CYP3A4
Hydrochloric Acid SCHEMBL9844228 0.95 FNTA (0.54) FNTAFNTBDRD3DRD2CYP3A4
Acetic Acid SCHEMBL7681832 0.93 FNTA (0.52) FNTAFNTBDRD3DRD2CYP3A4

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-0451772-A1 Piperidine compounds, method for preparation thereof, and a pharamceutical composition comprising the same HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1991-10-16 EP disclosed