SCHEMBL9660672

SCHEMBL9660672

CC(NCCC(c1ccccc1)c1ccccc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.70
SLC6A4 P31645 6/20 0.70
SLC6A3 Q01959 6/20 0.70
KCNH2 Q12809 6/20 0.70
CYP3A4 P08684 5/20 0.70
CYP2D6 P10635 5/20 0.70
LMNA P02545 3/20 0.70
HTR1A P08908 3/20 0.70
ADORA3 P0DMS8 2/20 0.70
ADRA1A P35348 2/20 0.70
OPRM1 P35372 2/20 0.70
DRD3 P35462 2/20 0.70
CYP2C19 P33261 2/20 0.70
CHRM2 P08172 1/20 0.70
ADRA2A P08913 1/20 0.70
CHRM1 P11229 1/20 0.70
SMPD1 P17405 1/20 0.70
DRD1 P21728 1/20 0.70
TBXA2R P21731 1/20 0.70
CASR P41180 1/20 0.70

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
SCHEMBL9661904 0.86 LMNA (0.59) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
SCHEMBL15131187 0.84 LMNA (0.70) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
SCHEMBL9661837 0.84 HTR1A (0.80) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
SCHEMBL9660642 0.83 HTR1A (0.86) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
Fendiline SCHEMBL14415809 0.83 OPRM1 (1.00) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
Fendiline SCHEMBL63814 0.83 OPRM1 (1.00) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
Fendiline SCHEMBL14415808 0.83 OPRM1 (1.00) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
Fendiline SCHEMBL5053865 0.83 OPRM1 (1.00) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
Hydrochloric Acid SCHEMBL9661761 0.83 KMT2A (0.81) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
Fendiline SCHEMBL15571059 0.81 KMT2A (1.00) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4

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-0253327-B1 DIPHENYLPROPYLAMINE DERIVATIVES, THEIR PREPARATION AND THEIR PHARMACEUTICAL USE CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1992-05-06 EP claimed
EP-0253327-A2 Diphenylpropylamine derivatives, their preparation and their pharmaceutical use CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1988-01-20 EP claimed