SCHEMBL9033683

SCHEMBL9033683

O=C1c2cccc3cccc(c23)C(=O)N1CCN1CCC(c2c[nH]c3ccc(F)cc23)CC1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.64
HTR1A P08908 8/20 0.64
HTR7 P34969 5/20 0.61
DRD2 P14416 4/20 0.61
HTR6 P50406 4/20 0.61
OPRM1 P35372 2/20 0.59
OPRK1 P41145 2/20 0.59
OPRL1 P41146 2/20 0.59
HTR2A P28223 3/20 0.57

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
SCHEMBL9034357 0.93 DRD2 (0.60) SLC6A4HTR1AHTR7DRD2HTR6
SCHEMBL9034427 0.89 OPRM1 (0.57) SLC6A4HTR1AHTR7DRD2HTR6
SCHEMBL9035807 0.89 CYP1A2 (0.54) SLC6A4HTR1AHTR7DRD2HTR6
SCHEMBL9035549 0.88 HTR1A (0.59) SLC6A4HTR1AHTR7DRD2HTR6
SCHEMBL9051682 0.86 KCNH2 (0.52) SLC6A4HTR1AHTR7DRD2HTR6
SCHEMBL9032917 0.86 SLC6A4 (0.65) SLC6A4HTR1AHTR7DRD2HTR6
SCHEMBL9033765 0.86 HTR1D (0.49) SLC6A4HTR1AHTR7DRD2HTR6
SCHEMBL9033713 0.86 SLC6A4 (0.51) SLC6A4HTR1AHTR7DRD2HTR6
SCHEMBL9034645 0.85 RAD52 (0.51) SLC6A4HTR1AHTR7DRD2HTR6
SCHEMBL9033650 0.83 KDM4E (0.47) SLC6A4HTR1AHTR7DRD2HTR6

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-0722942-A1 Indole piperidine derivatives MERCK PATENT GmbH (DE) 1996-07-24 EP claimed
JP-8253474-A None JP disclosed
JP-H08253474-A INDOLEPIPERIDINE DERIVATIVE MERCK PATENT GMBH 1996-10-01 JP disclosed
EP-0722942-A1 Indole piperidine derivatives MERCK PATENT GmbH (DE) 1996-07-24 EP disclosed