SCHEMBL8960949

SCHEMBL8960949

CCc1cc(CCNC(C)=O)c2ccccc2c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.56
MTNR1B P49286 9/20 0.54
HTR2C P28335 3/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
PKM P14618 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
BLM P54132 1/20 0.50
KMT2A Q03164 1/20 0.50
NQO2 P16083 3/20 0.48
HTR2B P41595 1/20 0.48

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
SCHEMBL8960832 0.86 MTNR1A (0.73) MTNR1AMTNR1BHTR2CMEN1LMNA
SCHEMBL19807323 0.86 KDM2B (0.45) MTNR1AMTNR1BMEN1KMT2ANQO2
SCHEMBL8961076 0.84 MTNR1A (0.57) MTNR1AMTNR1BHTR2CMEN1LMNA
SCHEMBL1073032 0.84 MTNR1A (0.52) MTNR1AMTNR1BHTR2CMEN1LMNA
SCHEMBL8961109 0.83 MTNR1A (0.71) MTNR1AMTNR1BCYP2C19NQO2
SCHEMBL8961110 0.81 MTNR1A (0.65) MTNR1AMTNR1BNQO2
SCHEMBL8960952 0.81 MTNR1A (0.69) MTNR1AMTNR1BHTR2CMEN1LMNA
SCHEMBL6258031 0.81 MTNR1A (0.84) MTNR1AMTNR1BHTR2CHTR2B
SCHEMBL8054334 0.81 MTNR1A (0.72) MTNR1AMTNR1B
SCHEMBL8960882 0.80 MTNR1A (0.67) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5552418-A FOR TREATING DISORDERS OF THE MELATONINERGIC SYSTEM ADIR ET COMPAGNIE (FR) 1996-09-03 US disclosed