SCHEMBL29632199

SCHEMBL29632199

CNc1cccc(C(=O)NC2CCC(Nc3cc(C(F)(F)F)nc4ccc(Cl)cc34)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.47
ADRA2A P08913 7/20 0.47
CRHR1 P34998 2/20 0.43
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
IGF1R P08069 2/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
HTR1A P08908 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
HTR2B P41595 1/20 0.39
NPY5R Q15761 1/20 0.39
SMYD3 Q9H7B4 1/20 0.39

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
SCHEMBL24494407 1.00 MCHR1 (0.47) MCHR1ADRA2ACRHR1GAAMAPT
SCHEMBL29522469 0.92 GRM5 (0.48)
SCHEMBL31166042 0.92 GAA (0.47) MCHR1ADRA2ACRHR1GAAMAPT
SCHEMBL29632297 0.92 GAA (0.47) MCHR1ADRA2ACRHR1GAAMAPT
SCHEMBL24360067 0.92 GAA (0.47) MCHR1ADRA2ACRHR1GAAMAPT
SCHEMBL24360099 0.92 GAA (0.47) MCHR1ADRA2ACRHR1GAAMAPT
SCHEMBL25111386 0.92 GRM5 (0.48)
SCHEMBL24494276 0.92 SMYD3 (0.51) MCHR1ADRA2ACRHR1GAAMAPT
SCHEMBL29632563 0.92 SMYD3 (0.51) MCHR1ADRA2ACRHR1GAAMAPT
SCHEMBL24360046 0.91 MCHR1 (0.48) MCHR1ADRA2ACRHR1NPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116710434-A Modulators of MAS-related G protein receptor X2 and related products and uses thereof 伊赛恩特制药公司 2023-09-05 CN disclosed
EP-4232042-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND THEIR USE ESCIENT PHARMACEUTICALS, INC. (US) 2023-08-30 EP disclosed
WO-2022087083-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND THEIR USE ESCIENT PHARMACEUTICALS, INC. (US) 2022-04-28 WO disclosed