SCHEMBL9035549

SCHEMBL9035549

O=C1c2cccc3cccc(c23)C(=O)N1OCCN1CCC(c2c[nH]c3ccc(F)cc23)CC1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.59
HTR7 P34969 6/20 0.59
OPRM1 P35372 3/20 0.56
OPRK1 P41145 3/20 0.56
OPRL1 P41146 3/20 0.56
SLC6A4 P31645 6/20 0.54
DRD2 P14416 4/20 0.52
HTR6 P50406 4/20 0.52
HTR2A P28223 3/20 0.52

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
SCHEMBL9034191 0.93 DRD2 (0.57) HTR1AHTR7OPRM1OPRK1OPRL1
SCHEMBL9033683 0.88 SLC6A4 (0.64) HTR1AHTR7OPRM1OPRK1OPRL1
SCHEMBL9035121 0.84 HTR7 (0.41) HTR1AHTR7SLC6A4HTR2A
SCHEMBL9034357 0.81 DRD2 (0.60) HTR1AHTR7OPRM1OPRK1OPRL1
SCHEMBL9033100 0.79 TDP1 (0.43) HTR1AHTR7OPRM1OPRK1OPRL1
SCHEMBL9034427 0.77 OPRM1 (0.57) HTR1AHTR7OPRM1OPRK1OPRL1
SCHEMBL9035807 0.77 CYP1A2 (0.54) HTR1AHTR7SLC6A4DRD2HTR6
SCHEMBL9032917 0.77 SLC6A4 (0.65) HTR1AHTR7SLC6A4DRD2HTR6
SCHEMBL9033713 0.77 SLC6A4 (0.51) HTR1AHTR7SLC6A4DRD2HTR6
SCHEMBL9051682 0.75 KCNH2 (0.52) HTR1AHTR7SLC6A4DRD2HTR6

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
EP-0722942-A1 Indole piperidine derivatives MERCK PATENT GmbH (DE) 1996-07-24 EP disclosed