SCHEMBL29632111

SCHEMBL29632111

CC(=O)Oc1cccc(C(=O)NC2CCC(Nc3cc(C(F)(F)F)nc4ccc(Cl)cc34)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.45
ADRA2A P08913 5/20 0.45
NPC1 O15118 2/20 0.42
GRM5 P41594 1/20 0.41
EPHX2 P34913 3/20 0.41
RAF1 P04049 1/20 0.41
IGF1R P08069 1/20 0.40
PTK2 Q05397 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
RAB9A P51151 1/20 0.39
CRHR1 P34998 1/20 0.38

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
SCHEMBL24360078 1.00 MCHR1 (0.45) MCHR1ADRA2ANPC1GRM5EPHX2
SCHEMBL24360359 0.92 GRM5 (0.51) MCHR1ADRA2ANPC1GRM5IGF1R
SCHEMBL29632130 0.92 GRM5 (0.51) MCHR1ADRA2ANPC1GRM5IGF1R
SCHEMBL29632268 0.91 MCHR1 (0.45) MCHR1ADRA2ANPC1GRM5EPHX2
SCHEMBL24494264 0.91 MCHR1 (0.45) MCHR1ADRA2ANPC1GRM5EPHX2
SCHEMBL24360028 0.87 MCHR1 (0.47) MCHR1ADRA2ANPC1GRM5IGF1R
SCHEMBL29632072 0.87 MCHR1 (0.47) MCHR1ADRA2ANPC1GRM5IGF1R
SCHEMBL29632138 0.87 MCHR1 (0.48) MCHR1ADRA2ANPC1GRM5EPHX2
SCHEMBL24360046 0.87 MCHR1 (0.48) MCHR1ADRA2ANPC1GRM5EPHX2
SCHEMBL30540312 0.87 MCHR1 (0.51) MCHR1ADRA2ANPC1GRM5IGF1R

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