SCHEMBL29632138

SCHEMBL29632138

CNC(=O)c1cccc(C(=O)NC2CCC(Nc3cc(C(F)(F)F)nc4ccc(Cl)cc34)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.48
ADRA2A P08913 7/20 0.48
RAF1 P04049 1/20 0.43
EPHX2 P34913 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
IGF1R P08069 2/20 0.41
CRHR1 P34998 2/20 0.41
HTR1A P08908 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
HTR2B P41595 1/20 0.40
NPY5R Q15761 1/20 0.40
BRD4 O60885 1/20 0.40
GRM5 P41594 4/20 0.40

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
SCHEMBL24360046 1.00 MCHR1 (0.48) MCHR1ADRA2ARAF1EPHX2L3MBTL1
SCHEMBL24494407 0.91 MCHR1 (0.47) MCHR1ADRA2AL3MBTL1NPC1RAB9A
SCHEMBL29632199 0.91 MCHR1 (0.47) MCHR1ADRA2AL3MBTL1NPC1RAB9A
SCHEMBL24360028 0.91 MCHR1 (0.47) MCHR1ADRA2AL3MBTL1NPC1RAB9A
SCHEMBL29632072 0.91 MCHR1 (0.47) MCHR1ADRA2AL3MBTL1NPC1RAB9A
SCHEMBL30540312 0.91 MCHR1 (0.51) MCHR1ADRA2AL3MBTL1NPC1RAB9A
SCHEMBL24360165 0.91 MCHR1 (0.48) MCHR1ADRA2AL3MBTL1NPC1RAB9A
SCHEMBL29632110 0.91 MCHR1 (0.48) MCHR1ADRA2AL3MBTL1NPC1RAB9A
SCHEMBL24360164 0.91 MCHR1 (0.48) MCHR1ADRA2AL3MBTL1NPC1RAB9A
SCHEMBL24360067 0.90 GAA (0.47) MCHR1ADRA2ARAF1EPHX2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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