SCHEMBL4582648

SCHEMBL4582648

COc1ccc2cccc(C(CN)COS(C)(=O)=O)c2c1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 18/20 0.50
MTNR1B P49286 10/20 0.50
HTR2C P28335 7/20 0.50
HTR2A P28223 1/20 0.41
NQO2 P16083 1/20 0.41
HTR2B P41595 1/20 0.40

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
Hydrochloric Acid SCHEMBL5123947 0.99 MTNR1A (0.49) MTNR1AMTNR1BHTR2CHTR2ANQO2
SCHEMBL4585508 0.85 MTNR1A (0.53) MTNR1AMTNR1BHTR2CHTR2ANQO2
Hydrochloric Acid SCHEMBL5123674 0.84 MTNR1A (0.52) MTNR1AMTNR1BHTR2CHTR2ANQO2
SCHEMBL3326757 0.82 MTNR1A (0.73) MTNR1AMTNR1BHTR2CNQO2HTR2B
SCHEMBL4583520 0.81 MTNR1A (0.74) MTNR1AMTNR1BHTR2CNQO2
SCHEMBL3329211 0.80 MTNR1A (0.74) MTNR1AMTNR1BHTR2CNQO2HTR2B
SCHEMBL30448774 0.80 MTNR1A (0.66) MTNR1AMTNR1BHTR2CHTR2ANQO2
SCHEMBL3632637 0.80 MTNR1A (0.66) MTNR1AMTNR1BHTR2CHTR2ANQO2
Hydrochloric Acid SCHEMBL3326573 0.79 MTNR1A (0.65) MTNR1AMTNR1BHTR2CHTR2ANQO2
SCHEMBL4582897 0.78 MTNR1A (0.57) MTNR1AMTNR1BHTR2CHTR2ANQO2

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-1900723-A1 New naphthalene derivatives, method of preparing same and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2008-03-19 EP disclosed
WO-2008000969-A1 NOVEL NAPHTHALENIC DERIVATIVES, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2008-01-03 WO disclosed