SCHEMBL3632205

SCHEMBL3632205

COc1ccc2cccc(C(C)(C#N)C(=O)O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 18/20 0.47
▸ NQO2 P16083 2/20 0.46
▸ MTNR1B P49286 5/20 0.45
▸ HTR2C P28335 1/20 0.45
▸ HTR2B P41595 1/20 0.45

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
SCHEMBL3326781 0.89 MTNR1A (0.49) MTNR1ANQO2MTNR1BHTR2CHTR2B
SCHEMBL17187860 0.81 CYP1A2 (0.44) MTNR1AMTNR1BHTR2CHTR2B
SCHEMBL4584420 0.81 MTNR1A (0.44) MTNR1ANQO2MTNR1BHTR2CHTR2B
SCHEMBL22967806 0.76 CYP1A2 (0.52) MTNR1ANQO2MTNR1BHTR2CHTR2B
SCHEMBL12505926 0.73 CYP1A2 (0.48) MTNR1AMTNR1BHTR2CHTR2B
SCHEMBL21632076 0.72 KMT2A (0.44) —
SCHEMBL27401847 0.72 MEN1 (0.46) —
SCHEMBL28873491 0.71 TRPV1 (0.50) MTNR1AMTNR1BHTR2CHTR2B
SCHEMBL18428158 0.71 MTNR1A (0.48) MTNR1AMTNR1BHTR2CHTR2B
SCHEMBL3327762 0.70 MTNR1A (0.70) MTNR1ANQO2MTNR1BHTR2CHTR2B

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-2167457-A2 NOVEL NAPHTHALENE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2010-03-31 — — EP disclosed
WO-2009022064-A2 NOVEL NAPHTHALENE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2009-02-19 — — WO disclosed
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