SCHEMBL8960832

SCHEMBL8960832

CC(=O)NCCc1cc(Cc2ccccc2)cc2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.73
MTNR1B P49286 9/20 0.54
MEN1 O00255 2/20 0.51
CYP1A2 P05177 2/20 0.51
TSHR P16473 2/20 0.51
CYP2C19 P33261 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HTR2C P28335 2/20 0.48
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.48
BLM P54132 1/20 0.48
NQO2 P16083 1/20 0.47

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
SCHEMBL8960949 0.86 MTNR1A (0.56) MTNR1AMTNR1BMEN1CYP1A2TSHR
SCHEMBL6075504 0.85 MTNR1A (0.70) MTNR1AMTNR1BHTR2CNQO2
SCHEMBL6076218 0.85 MTNR1A (0.70) MTNR1AMTNR1BHTR2CNQO2
SCHEMBL8610088 0.85 MTNR1A (1.00) MTNR1AMTNR1BHTR2C
SCHEMBL8961125 0.83 MTNR1A (0.80) MTNR1AMTNR1BHTR2C
SCHEMBL8961085 0.83 MTNR1A (0.80) MTNR1AMTNR1BHTR2C
SCHEMBL6077135 0.83 MTNR1A (0.67) MTNR1AMTNR1BHTR2CNQO2
SCHEMBL8960845 0.83 MTNR1A (0.54) MTNR1AMTNR1BHPGDNQO2
SCHEMBL1073032 0.82 MTNR1A (0.52) MTNR1AMTNR1BMEN1CYP1A2TSHR
SCHEMBL8961076 0.82 MTNR1A (0.57) MTNR1AMTNR1BMEN1CYP1A2TSHR

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