SCHEMBL8345144

SCHEMBL8345144

CN(Cc1ccccc1)C(=O)C(N)Cc1c[nH]c2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.69
MC4R P32245 2/20 0.66
MC5R P33032 1/20 0.66
MC3R P41968 1/20 0.66
KMT2A Q03164 3/20 0.64
LMNA P02545 2/20 0.64
KDM4E B2RXH2 2/20 0.64
MAPT P10636 2/20 0.64
MEN1 O00255 2/20 0.64
MPO P05164 1/20 0.64
TSHR P16473 1/20 0.64
BLM P54132 1/20 0.64
PMP22 Q01453 1/20 0.64
HIF1A Q16665 1/20 0.64
CDK4 P11802 1/20 0.62
GAA P10253 1/20 0.55
NLN Q9BYT8 1/20 0.55
CCKBR P32239 1/20 0.55
APAF1 O14727 1/20 0.54
POLB P06746 1/20 0.54

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
SCHEMBL30230046 1.00 TACR1 (0.69) TACR1MC4RMC5RMC3RKMT2A
SCHEMBL8345148 1.00 TACR1 (0.69) TACR1MC4RMC5RMC3RKMT2A
SCHEMBL8895238 0.87 TACR1 (0.57) TACR1MC4RMC5RMC3RKMT2A
SCHEMBL8916109 0.85 TACR1 (0.55) TACR1MC4RMC5RMC3RKMT2A
SCHEMBL2992113 0.85 KDM4E (0.70) TACR1MC4RMC5RMC3RKMT2A
SCHEMBL4126005 0.85 KDM4E (0.70) TACR1MC4RMC5RMC3RKMT2A
SCHEMBL21292830 0.85 KDM4E (0.70) TACR1MC4RMC5RMC3RKMT2A
SCHEMBL7620106 0.84 CDK4 (0.66) KMT2ALMNAKDM4EMAPTMEN1
SCHEMBL8487661 0.84 TACR1 (0.64) TACR1MC4RMC5RMC3RKMT2A
SCHEMBL1388787 0.84 TACR1 (0.67) TACR1MC4RMC5RMC3RKMT2A

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-5869489-A TREATMENT OF INFLAMMATORY DISEASES, MIGRAINES AND ASTHMA MERCK & CO., INC. (US) 1999-02-09 US disclosed