SCHEMBL7404356

SCHEMBL7404356

[CH2]CCC(Cc1ccccc1)c1cccc(O)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SLC16A3 O15427 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
HPGDS O60760 2/20 0.39
OPRK1 P41145 2/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
ADRB2 P07550 3/20 0.38

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
SCHEMBL2088669 0.83 CYP19A1 (0.49) SLC6A2SLC6A4SLC6A3MTNR1AMTNR1B
SCHEMBL27338429 0.82 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3SLC16A3SMN1; SMN2
SCHEMBL620932 0.81 ENPP2 (0.47) SLC6A2SLC6A4SLC6A3HPGDS
SCHEMBL31589346 0.78 ENPP2 (0.50) SLC6A2SLC6A4SLC6A3LMNAKMT2A
SCHEMBL866194 0.75 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3SMN1; SMN2OPRK1
SCHEMBL4748924 0.73 KYNU (0.47) SLC6A2SLC6A4SLC6A3SMN1; SMN2HPGDS
SCHEMBL28041147 0.73 ESR1 (0.52) SLC6A2SLC6A4SLC6A3OPRK1ESR1
SCHEMBL4773619 0.73 CYP19A1 (0.53) SLC6A2SLC6A4SLC6A3MTNR1AMTNR1B
SCHEMBL4719282 0.71 EPHX1 (0.53) HPGDSOPRK1LMNA
SCHEMBL28311611 0.71 ENPP2 (0.52) SLC6A2SLC6A4SLC6A3OPRK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869792-A4 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 1999-09-22 EP claimed
EP-0869792-A2 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-10-14 EP claimed
WO-1997023216-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-07-03 WO claimed