SCHEMBL8867009

SCHEMBL8867009

N#CCc1coc2ccc(CC3CC3)cc12

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.37
SIGMAR1 Q99720 1/20 0.37
MTNR1A P48039 3/20 0.34
CYP2D6 P10635 3/20 0.33
SLC6A4 P31645 3/20 0.33
KDM1A O60341 4/20 0.33
TP53 P04637 2/20 0.33
MTNR1B P49286 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 1/20 0.31
HTR1D P28221 1/20 0.30
HTR2C P28335 1/20 0.30

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
SCHEMBL7756353 0.80 TP53 (0.49) MTNR1AKDM1ATP53MAPTSMN1; SMN2
SCHEMBL8868639 0.77 CDK2 (0.33) HTR1AMTNR1ACYP2D6KDM1AMTNR1B
SCHEMBL8869337 0.77 MTNR1A (0.55) HTR1AMTNR1ATP53MTNR1BMAPT
SCHEMBL8867913 0.75 MTNR1A (0.47) HTR1AMTNR1ATP53MTNR1BMAPT
SCHEMBL7137898 0.73 THRB (0.46) KDM1ATP53MAPTSMN1; SMN2
SCHEMBL11342932 0.73 CYP2A6 (0.50) HTR1ATP53HTR1DHTR2C
SCHEMBL8950321 0.73 CSNK2A1 (0.50) HTR1AMAPTSMN1; SMN2GAAHTR1D
SCHEMBL6613340 0.73 PTPN1 (0.43) HTR1ASLC6A4KDM1AHTR1DHTR2C
SCHEMBL8168864 0.73 ESR2 (0.47) HTR1AMAPTHTR1DHTR2C
SCHEMBL8868012 0.73 MTNR1A (0.45) HTR1AMTNR1ASLC6A4TP53MTNR1B

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-5703121-A SLEEP DISORDERS ADIR ET COMPAGNIE (FR) 1997-12-30 US disclosed