SCHEMBL6635849

SCHEMBL6635849

CCc1ccc2cccc3c2c1CC(CN)C3

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.36
MTNR1B P49286 8/20 0.36
NSD2 O96028 1/20 0.33
CASP6 P55212 1/20 0.33
GFER P55789 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL6634360 0.79 MTNR1A (0.44) MTNR1AMTNR1B
SCHEMBL6633679 0.78 MTNR1A (0.58) MTNR1AMTNR1B
SCHEMBL5379988 0.73 CYP11B1 (0.44) MTNR1AMTNR1BNSD2CASP6GFER
SCHEMBL6634046 0.69 MTNR1A (0.44) MTNR1AMTNR1B
SCHEMBL6635809 0.68 MTNR1A (0.46) MTNR1AMTNR1B
SCHEMBL6638132 0.67 MTNR1A (0.42) MTNR1AMTNR1B
SCHEMBL28814019 0.66 FYN (0.48) MTNR1AMTNR1BCYP3A4TSHR
SCHEMBL29593942 0.66 HTR2A (0.52)
SCHEMBL714536 0.66 HTR2A (0.52)
SCHEMBL27802966 0.66 MTNR1A (0.36) MTNR1AMTNR1BNSD2CASP6GFER

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
EP-1047664-B1 NOVEL TRICYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2004-05-19 EP disclosed
US-6423870-B1 ANTICOAGULANTS; CIRCADIAN RHYTHM DISORDERS; SLEEP DISORDERS LES LABORATOIRES SERVIER (FR) 2002-07-23 US disclosed