SCHEMBL8960874

SCHEMBL8960874

COc1ccc2cc(C(=O)c3ccccc3)cc(CCNC(=O)NC3CC3)c2c1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 19/20 0.74
MTNR1B P49286 8/20 0.55
NQO2 P16083 1/20 0.55
HTR2C P28335 1/20 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
SCHEMBL8960914 0.96 MTNR1A (0.69) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL8961073 0.89 MTNR1A (0.74) MTNR1AMTNR1BHTR2C
SCHEMBL8961221 0.88 MTNR1A (0.80) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL8961088 0.87 MTNR1A (0.78) MTNR1AMTNR1BNQO2
SCHEMBL8960969 0.87 MTNR1A (0.79) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL8961129 0.87 MTNR1A (0.79) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL8526049 0.86 MTNR1A (1.00) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL8961004 0.85 MTNR1A (0.73) MTNR1AMTNR1BNQO2
SCHEMBL8960806 0.85 MTNR1A (0.73) MTNR1AMTNR1BNQO2
SCHEMBL8961144 0.85 MTNR1A (0.72) MTNR1AMTNR1BNQO2

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