SCHEMBL8961010

SCHEMBL8961010

COc1ccc2cc(Cc3ccccc3)cc(CCNC(=O)C3CCCC3)c2c1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.73
MTNR1B P49286 7/20 0.70
NQO2 P16083 1/20 0.64
HTR2C P28335 1/20 0.58
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HSD17B10 Q99714 1/20 0.56
BCHE P06276 1/20 0.54
ACHE P22303 1/20 0.54

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
SCHEMBL8961103 0.99 MTNR1A (0.72) MTNR1AMTNR1BNQO2HTR2CKDM4E
SCHEMBL8961143 0.99 MTNR1A (0.74) MTNR1AMTNR1BNQO2HTR2CKDM4E
SCHEMBL8961043 0.96 MTNR1A (0.78) MTNR1AMTNR1BNQO2HTR2CALDH1A1
SCHEMBL8961122 0.88 MTNR1A (0.92) MTNR1AMTNR1BNQO2HTR2CKDM4E
SCHEMBL8961074 0.88 MTNR1A (0.92) MTNR1AMTNR1BNQO2HTR2CKDM4E
SCHEMBL8961302 0.87 MTNR1A (0.90) MTNR1AMTNR1BNQO2HTR2CKDM4E
SCHEMBL6246356 0.86 MTNR1A (0.80) MTNR1AMTNR1BNQO2
SCHEMBL8961161 0.86 MTNR1A (0.69) MTNR1AMTNR1BHTR2C
SCHEMBL6076229 0.85 MTNR1A (0.52) MTNR1AMTNR1BNQO2ALDH1A1
SCHEMBL8610088 0.85 MTNR1A (1.00) MTNR1AMTNR1BHTR2C

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-5552418-A FOR TREATING DISORDERS OF THE MELATONINERGIC SYSTEM ADIR ET COMPAGNIE (FR) 1996-09-03 US disclosed