SCHEMBL7302187

SCHEMBL7302187

Nc1ccc(/C=C/CN2CCC(=C3c4ccccc4CSc4ccccc43)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
CHRM2 P08172 3/20 0.38
ADRA2A P08913 3/20 0.38
CYP2D6 P10635 3/20 0.38
CHRM1 P11229 3/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
ADRA1A P35348 3/20 0.38
DRD3 P35462 3/20 0.38
SLC6A3 Q01959 3/20 0.38
KCNH2 Q12809 3/20 0.38
SETD7 Q8WTS6 2/20 0.38
HTR1A P08908 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
DRD1 P21728 2/20 0.38
OPRM1 P35372 2/20 0.38
TBXA2R P21731 1/20 0.38
CYP2C19 P33261 1/20 0.38
LTA4H P09960 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
SCHEMBL7302193 1.00 FNTA (0.46) FNTAFNTBCHRM2ADRA2ACYP2D6
SCHEMBL7303847 0.87 FNTA (0.44) FNTAFNTBCHRM2ADRA2ACYP2D6
SCHEMBL7303850 0.87 FNTA (0.44) FNTAFNTBCHRM2ADRA2ACYP2D6
SCHEMBL7303180 0.87 SETD7 (0.48) FNTAFNTBCHRM2ADRA2ACYP2D6
SCHEMBL7303176 0.87 SETD7 (0.48) FNTAFNTBCHRM2ADRA2ACYP2D6
Hydrochloric Acid SCHEMBL9245652 0.86 SETD7 (0.47) FNTAFNTBCHRM2ADRA2ACYP2D6
Hydrochloric Acid SCHEMBL9245646 0.86 SETD7 (0.47) FNTAFNTBCHRM2ADRA2ACYP2D6
SCHEMBL7308567 0.85 FNTA (0.44) FNTAFNTBCHRM2ADRA2ACYP2D6
SCHEMBL7308575 0.85 FNTA (0.44) FNTAFNTBCHRM2ADRA2ACYP2D6
SCHEMBL7439213 0.83 FNTA (0.47) FNTAFNTBLMNACYP3A4HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0479601-B1 Piperidine derivatives and their use as antiarrhythmic agents AJINOMOTO KK (JP) 1999-12-15 EP claimed
EP-0479601-B1 Piperidine derivatives and their use as antiarrhythmic agents AJINOMOTO KK (JP) 1999-12-15 EP disclosed
US-5229400-A Cardiovascular disorders AJINOMOTO CO., INC. (JP) 1993-07-20 US disclosed
EP-0479601-A2 Piperidine derivatives and their use as antiarrhythmic agents Ajinomoto Co., Inc. (JP) 1992-04-08 EP disclosed