SCHEMBL8884729

SCHEMBL8884729

CC(=O)NOCc1cc(C(C)=O)cc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.52
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
SIRT5 Q9NXA8 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
F2 P00734 2/20 0.40
ATM Q13315 1/20 0.39
PARP10 Q53GL7 2/20 0.38
TACR1 P25103 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MTNR1B P49286 1/20 0.38
KDM2B Q8NHM5 1/20 0.38
PARP15 Q460N3 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 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
SCHEMBL8883852 0.88 MTNR1A (0.51) MTNR1AALDH1A1MAPTHPGDMEN1
SCHEMBL8883727 0.84 MTNR1A (0.51) MTNR1AALDH1A1MAPTHPGDMEN1
SCHEMBL8883735 0.82 MTNR1A (0.51) MTNR1AMEN1KMT2AF2TACR1
SCHEMBL8644133 0.82 MTNR1A (0.68) MTNR1ASIRT5MEN1KMT2AATM
SCHEMBL8883973 0.81 MTNR1A (0.71) MTNR1AMTNR1B
SCHEMBL8961076 0.77 MTNR1A (0.57) MTNR1AALDH1A1MAPTHPGDMEN1
SCHEMBL8882879 0.77 MTNR1A (0.46) MTNR1AALDH1A1HPGDMEN1KMT2A
SCHEMBL8883983 0.71 MTNR1A (0.52) MTNR1AMEN1KMT2AATM
SCHEMBL6077255 0.71 MTNR1A (0.74) MTNR1AMEN1KMT2AMTNR1B
SCHEMBL8887333 0.70 MTNR1A (0.70) 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-5612368-A SKIN DISORDERS, MELATONINERGIC SYSTEMS, ANTIARRHYTHMIA AGENTS OR ANTIISCHEMIC AGENTS ADIR ET COMPAGNIE (FR) 1997-03-18 US disclosed