SCHEMBL7236345

SCHEMBL7236345

COc1ccc2cccc([C@@H]3C[C@H]3C#N)c2c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.56
MTNR1B P49286 5/20 0.56
HTR2A P28223 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2A6 P11509 1/20 0.40
MYB P10242 1/20 0.37
DPP4 P27487 4/20 0.37

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
SCHEMBL7236340 1.00 MTNR1A (0.56) MTNR1AMTNR1BHTR2ACYP1A2CYP2A6
SCHEMBL7238729 0.81 MTNR1A (0.42) MTNR1AMTNR1BCYP1A2CYP2A6
SCHEMBL7238732 0.81 MTNR1A (0.42) MTNR1AMTNR1BCYP1A2CYP2A6
SCHEMBL7012397 0.80 MTNR1A (0.61) MTNR1AMTNR1BHTR2ACYP1A2CYP2A6
SCHEMBL7236200 0.80 MTNR1A (0.61) MTNR1AMTNR1BHTR2ACYP1A2CYP2A6
SCHEMBL7228935 0.78 MTNR1A (0.56) MTNR1AMTNR1B
SCHEMBL7228928 0.78 MTNR1A (0.56) MTNR1AMTNR1B
SCHEMBL7102201 0.75 MTNR1A (0.64) MTNR1AMTNR1BHTR2ACYP1A2CYP2A6
SCHEMBL7231435 0.75 MTNR1A (0.65) MTNR1AMTNR1B
SCHEMBL7229523 0.75 MTNR1A (0.65) 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 1 patent. 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