SCHEMBL7098772

SCHEMBL7098772

COc1ccc2cccc([C@@H]3C[C@H]3NC(=O)C3CC3)c2c1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 16/20 0.77
MTNR1B P49286 14/20 0.77
ABL1 P00519 1/20 0.45
NQO2 P16083 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL7006961 1.00 MTNR1A (0.77) MTNR1AMTNR1BABL1NQO2KDM4E
SCHEMBL7094759 0.87 MTNR1A (1.00) MTNR1AMTNR1BSMN1; SMN2
SCHEMBL7012333 0.87 MTNR1A (1.00) MTNR1AMTNR1BSMN1; SMN2
SCHEMBL7011682 0.86 MTNR1A (0.77) MTNR1AMTNR1B
SCHEMBL7231439 0.86 MTNR1A (0.77) MTNR1AMTNR1B
SCHEMBL7235613 0.83 MTNR1A (0.76) MTNR1AMTNR1B
SCHEMBL7007743 0.83 MTNR1A (0.76) MTNR1AMTNR1B
SCHEMBL7229523 0.76 MTNR1A (0.65) MTNR1AMTNR1BNQO2
SCHEMBL7231435 0.76 MTNR1A (0.65) MTNR1AMTNR1BNQO2
SCHEMBL7236200 0.73 MTNR1A (0.61) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6583319-B1 Treating or preventing melatoninergic disorders LES LABORATOIRES SERVIER (FR) 2003-06-24 US disclosed
EP-0994102-B1 Cyclic derivatives with a cycloalkylenic chain, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-03-19 EP disclosed
EP-0994102-A1 Cyclic derivatives with a cycloalkylenic chain, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-04-19 EP disclosed