SCHEMBL7735692

SCHEMBL7735692

COc1ccc2[nH]cc3c2c1CCC3CNC(C)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 19/20 1.00
MTNR1B P49286 18/20 1.00
NQO2 P16083 2/20 0.44

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
SCHEMBL7735737 0.84 MTNR1A (0.72) MTNR1AMTNR1B
SCHEMBL7740360 0.81 MTNR1A (0.67) MTNR1AMTNR1B
SCHEMBL7741788 0.80 MTNR1B (0.67) MTNR1AMTNR1BNQO2
SCHEMBL6634020 0.80 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL7741773 0.79 MTNR1A (0.65) MTNR1AMTNR1B
SCHEMBL7735727 0.79 MTNR1A (0.65) MTNR1AMTNR1BNQO2
SCHEMBL6631892 0.78 MTNR1B (1.00) MTNR1AMTNR1B
SCHEMBL11001128 0.77 MTNR1A (0.66) MTNR1AMTNR1BNQO2
SCHEMBL25029662 0.76 MTNR1A (1.00) MTNR1AMTNR1BNQO2
SCHEMBL6635062 0.73 MTNR1A (0.88) MTNR1AMTNR1B

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-6423870-B1 ANTICOAGULANTS; CIRCADIAN RHYTHM DISORDERS; SLEEP DISORDERS LES LABORATOIRES SERVIER (FR) 2002-07-23 US disclosed