SCHEMBL8961004

SCHEMBL8961004

COc1ccc2cc(C(=O)c3ccccc3)cc(CCNC(=O)C3CCC3)c2c1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 17/20 0.73
MTNR1B P49286 9/20 0.70
NQO2 P16083 2/20 0.64
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HSD17B10 Q99714 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
SCHEMBL8960806 0.98 MTNR1A (0.73) MTNR1AMTNR1BNQO2KDM4EALDH1A1
SCHEMBL8961144 0.97 MTNR1A (0.72) MTNR1AMTNR1BNQO2KDM4EALDH1A1
SCHEMBL8961088 0.96 MTNR1A (0.78) MTNR1AMTNR1BNQO2ALDH1A1
SCHEMBL8961111 0.88 MTNR1A (0.92) MTNR1AMTNR1BNQO2KDM4EALDH1A1
SCHEMBL8961075 0.87 MTNR1A (0.79) MTNR1AMTNR1BNQO2KDM4EALDH1A1
SCHEMBL8961069 0.86 MTNR1A (0.78) MTNR1AMTNR1BNQO2ALDH1A1
SCHEMBL6246356 0.86 MTNR1A (0.80) MTNR1AMTNR1BNQO2
SCHEMBL8961276 0.86 MTNR1A (0.92) MTNR1AMTNR1BNQO2KDM4EALDH1A1
SCHEMBL8961217 0.86 MTNR1A (0.56) MTNR1AMTNR1BNQO2ALDH1A1
SCHEMBL8961143 0.85 MTNR1A (0.74) MTNR1AMTNR1BNQO2KDM4EALDH1A1

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