SCHEMBL7012397

SCHEMBL7012397

COc1ccc2cccc(C3CC3N)c2c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.61
MTNR1B P49286 1/20 0.61
KDM1A O60341 5/20 0.58
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
HTR2B P41595 1/20 0.56
KDM1B Q8NB78 2/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
DPP4 P27487 9/20 0.47
CYP1A2 P05177 1/20 0.44
CYP2A6 P11509 1/20 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
SCHEMBL7236200 1.00 MTNR1A (0.61) MTNR1AMTNR1BKDM1AHTR2AHTR2C
SCHEMBL7236345 0.80 MTNR1A (0.56) MTNR1AMTNR1BHTR2ADPP4CYP1A2
SCHEMBL7236340 0.80 MTNR1A (0.56) MTNR1AMTNR1BHTR2ADPP4CYP1A2
SCHEMBL7102201 0.80 MTNR1A (0.64) MTNR1AMTNR1BHTR2ADPP4CYP1A2
SCHEMBL7008815 0.79 HTR2A (0.50) MTNR1AMTNR1BKDM1AHTR2AHTR2C
SCHEMBL7231435 0.79 MTNR1A (0.65) MTNR1AMTNR1BHTR2CHTR2B
SCHEMBL7238122 0.79 HTR2A (0.50) MTNR1AMTNR1BKDM1AHTR2AHTR2C
SCHEMBL7229523 0.79 MTNR1A (0.65) MTNR1AMTNR1BHTR2CHTR2B
SCHEMBL7012333 0.76 MTNR1A (1.00) MTNR1AMTNR1BHTR2CHTR2B
SCHEMBL7094759 0.76 MTNR1A (1.00) MTNR1AMTNR1BHTR2CHTR2B

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