SCHEMBL7228928

SCHEMBL7228928

COc1ccc2ccc(OC)c(C3CC3C#N)c2c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.56
MTNR1B P49286 12/20 0.56
TP53 P04637 1/20 0.39
HTR2C P28335 7/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL7228935 1.00 MTNR1A (0.56) MTNR1AMTNR1BTP53HTR2CCA12
SCHEMBL7235756 0.83 MTNR1A (0.54) MTNR1AMTNR1BTP53
SCHEMBL7235758 0.83 MTNR1A (0.54) MTNR1AMTNR1BTP53
SCHEMBL7011236 0.80 MTNR1A (0.61) MTNR1AMTNR1BTP53HTR2CCA12
SCHEMBL7238438 0.80 MTNR1A (0.61) MTNR1AMTNR1BTP53HTR2CCA12
SCHEMBL7236340 0.78 MTNR1A (0.56) MTNR1AMTNR1B
SCHEMBL7236345 0.78 MTNR1A (0.56) MTNR1AMTNR1B
SCHEMBL7099044 0.75 MTNR1A (0.54) MTNR1AMTNR1BTP53HTR2CCA12
Ammonia Solution, Strong SCHEMBL27511408 0.74 MTNR1A (0.53) MTNR1AMTNR1BTP53HTR2CCA12
SCHEMBL7230881 0.72 MTNR1A (1.00) MTNR1AMTNR1BHTR2C

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
CN-1216856-C Novel cyclocompound having cycloalkylene chain, prepn. method and pharmaceutical compositions contg. same ADIR (FR) 2005-08-31 CN disclosed
US-6583319-B1 Treating or preventing melatoninergic disorders LES LABORATOIRES SERVIER (FR) 2003-06-24 US disclosed