SCHEMBL8948151

SCHEMBL8948151

O=c1sc2ccccc2n1CCCNCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.48
HTR7 P34969 2/20 0.48
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL8948006 0.82 L3MBTL1 (0.61) L3MBTL1NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL8948238 0.80 HTT (0.48) HTR1AHTR7L3MBTL1NPC1CYP1A2
SCHEMBL8948102 0.74 SIGMAR1 (0.63) HTR1ASIGMAR1
SCHEMBL318427 0.72 L3MBTL1 (0.68) L3MBTL1NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL2148992 0.70 CYP3A4 (0.67) HTR1AHTR7L3MBTL1NPC1CYP1A2
SCHEMBL2149958 0.69 NPC1 (0.65) HTR1AHTR7L3MBTL1NPC1CYP1A2
SCHEMBL2149611 0.69 NPC1 (0.65) HTR1AHTR7L3MBTL1NPC1CYP1A2
SCHEMBL9616604 0.69 L3MBTL1 (0.54) L3MBTL1NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL318582 0.69 L3MBTL1 (0.64) L3MBTL1NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL4617266 0.69 CYP3A4 (0.64) L3MBTL1NPC1CYP1A2CYP3A4CYP2D6

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
US-5512569-A SIGMA RECEPTOR DISORDERS; PSYCHOLOGICAL DISORDERS ADIR ET COMPAGNIE (FR) 1996-04-30 US disclosed