SCHEMBL8366194

SCHEMBL8366194

c1ccc(C(=C2CCCCN2)c2cccs2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.44
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HPGDS O60760 1/20 0.42
KMT2A Q03164 5/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 5/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 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
SCHEMBL5764963 0.82 NPC1 (0.54) HPGDRAB9ANPC1SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL10749720 0.81 NPC1 (0.53) HPGDRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL7496643 0.74 RAB9A (0.47) HPGDRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL9253700 0.74 OPRM1 (0.62) HPGDRAB9ANPC1SMN1; SMN2HPGDS
SCHEMBL7328025 0.74 RAB9A (0.47) HPGDRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL3438267 0.72 HPGDS (0.47) HPGDRAB9ANPC1SMN1; SMN2HPGDS
SCHEMBL8911535 0.71 HPGD (0.44) HPGDRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL5766517 0.69 RAB9A (0.51) HPGDRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL5766519 0.69 RAB9A (0.51) HPGDRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL1144315 0.67 RAB9A (0.56) HPGDRAB9ANPC1SMN1; SMN2KMT2A

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
WO-1999034802-A1 USE OF PHENYLTHIENYLMETHYLENE PIPERIDINE DERIVATIVES IN THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF DEPRESSION AKZO NOBEL N.V. (NL) 1999-07-15 WO disclosed
WO-1999034800-A1 USE OF PHENYLTHIENYLMETHYLENE PIPERIDINE DERIVATIVE IN THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF MOVEMENT DISORDERS AKZO NOBEL N.V. (NL) 1999-07-15 WO disclosed