SCHEMBL8869337

SCHEMBL8869337

CCCc1ccc2occ(CC#N)c2c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.55
TP53 P04637 4/20 0.39
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR1A P08908 2/20 0.34
HTR1D P28221 2/20 0.34
HTR2C P28335 2/20 0.34
RAB9A P51151 1/20 0.34
MTNR1B P49286 1/20 0.34
THRB P10828 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL8867913 0.92 MTNR1A (0.47) MTNR1ATP53MAPTSMN1; SMN2HTR1A
SCHEMBL8868012 0.89 MTNR1A (0.45) MTNR1ATP53HTR1AHTR1DHTR2C
SCHEMBL7756353 0.88 TP53 (0.49) MTNR1ATP53MAPTSMN1; SMN2THRB
SCHEMBL7137898 0.78 THRB (0.46) TP53MAPTSMN1; SMN2RAB9ATHRB
SCHEMBL8867009 0.77 HTR1A (0.37) MTNR1ATP53MAPTSMN1; SMN2HTR1A
SCHEMBL8869526 0.76 AIMP2 (0.39) TP53MAPTSMN1; SMN2RAB9A
SCHEMBL8950321 0.75 CSNK2A1 (0.50) MAPTSMN1; SMN2HTR1AHTR1DHTR2C
SCHEMBL6613340 0.75 PTPN1 (0.43) HTR1AHTR1DHTR2C
SCHEMBL8168864 0.75 ESR2 (0.47) MAPTHTR1AHTR1DHTR2CRAB9A
SCHEMBL11342932 0.75 CYP2A6 (0.50) TP53HTR1AHTR1DHTR2C

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