SCHEMBL8961285

SCHEMBL8961285

O=C(NCCc1cc(C(=O)C2CC2)cc2ccccc12)C1CC1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.56
MTNR1B P49286 5/20 0.52
NQO2 P16083 1/20 0.52
KDM2B Q8NHM5 3/20 0.47

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
SCHEMBL8960863 0.96 MTNR1A (0.57) MTNR1AMTNR1BNQO2KDM2B
SCHEMBL8961054 0.89 MTNR1A (0.71) MTNR1AMTNR1BNQO2KDM2B
SCHEMBL8961222 0.89 MTNR1A (0.71) MTNR1AMTNR1BNQO2
SCHEMBL8961269 0.88 MTNR1A (0.57) MTNR1AMTNR1BNQO2
SCHEMBL8961233 0.88 MTNR1A (0.54) MTNR1AMTNR1BNQO2
SCHEMBL8960838 0.85 MTNR1A (0.58) MTNR1AMTNR1BNQO2
SCHEMBL8961119 0.84 MTNR1A (0.65) MTNR1AMTNR1BNQO2
SCHEMBL8961217 0.83 MTNR1A (0.56) MTNR1AMTNR1BNQO2
SCHEMBL8065738 0.82 MTNR1A (0.52) MTNR1AMTNR1BNQO2
SCHEMBL6076081 0.82 MTNR1A (0.57) 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