SCHEMBL8570503

SCHEMBL8570503

COc1ccc2cccc(CCCCC(N)=O)c2c1

nearest known ligand 0.92

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 17/20 0.92
MTNR1B P49286 3/20 0.62
HTR2C P28335 1/20 0.62
HTR2B P41595 1/20 0.62
NQO2 P16083 1/20 0.59

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
SCHEMBL5130356 0.96 MTNR1A (1.00) MTNR1AMTNR1BHTR2CHTR2BNQO2
SCHEMBL124740 0.92 MTNR1A (1.00) MTNR1AMTNR1BHTR2CHTR2BNQO2
SCHEMBL8689984 0.85 MTNR1A (0.81) MTNR1AMTNR1BHTR2CHTR2BNQO2
SCHEMBL8575303 0.85 MTNR1A (0.84) MTNR1AMTNR1BHTR2CHTR2BNQO2
SCHEMBL8570966 0.84 MTNR1A (0.86) MTNR1AMTNR1BHTR2CHTR2BNQO2
SCHEMBL8021722 0.83 MTNR1A (0.69) MTNR1AMTNR1BHTR2CHTR2BNQO2
SCHEMBL4749238 0.83 MTNR1A (0.75) MTNR1AMTNR1BHTR2CHTR2BNQO2
SCHEMBL31558766 0.83 MTNR1A (0.75) MTNR1AMTNR1BHTR2CHTR2BNQO2
SCHEMBL30449230 0.83 MTNR1A (0.77) MTNR1AMTNR1BHTR2CHTR2BNQO2
SCHEMBL29593962 0.82 MTNR1A (0.78) MTNR1AMTNR1BHTR2CHTR2BNQO2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5760071-A AN UREA OR THIOUREA COMPOUNDS FOR TREATING MELATONINERGIC SYSTEM DISORDER, SLEEP DISORDER ADIR ET COMPAGNIE (FR) 1998-06-02 US disclosed
US-5731352-A THERAPY FOR DISORDERS OF THE MELATONINERGIC SYSTEM ADIR ET COMPAGNIE (FR) 1998-03-24 US disclosed