SCHEMBL29632297

SCHEMBL29632297

CNC(=O)Nc1cccc(C(=O)NC2CCC(Nc3cc(C(F)(F)F)nc4ccc(Cl)cc34)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
EPHX2 P34913 4/20 0.45
RAF1 P04049 2/20 0.45
MCHR1 Q99705 4/20 0.44
ADRA2A P08913 3/20 0.44
IGF1R P08069 3/20 0.44
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMYD3 Q9H7B4 1/20 0.41
CRHR1 P34998 1/20 0.41
ANO1 Q5XXA6 1/20 0.41
KCNH2 Q12809 1/20 0.41
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
NR1H4 Q96RI1 1/20 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
SCHEMBL24360099 1.00 GAA (0.47) GAAMAPTNPSR1EPHX2RAF1
SCHEMBL31166042 1.00 GAA (0.47) GAAMAPTNPSR1EPHX2RAF1
SCHEMBL24360067 1.00 GAA (0.47) GAAMAPTNPSR1EPHX2RAF1
SCHEMBL29632563 0.92 SMYD3 (0.51) GAAMAPTNPSR1MCHR1ADRA2A
SCHEMBL24494276 0.92 SMYD3 (0.51) GAAMAPTNPSR1MCHR1ADRA2A
SCHEMBL24494407 0.92 MCHR1 (0.47) GAAMAPTNPSR1MCHR1ADRA2A
SCHEMBL29632199 0.92 MCHR1 (0.47) GAAMAPTNPSR1MCHR1ADRA2A
SCHEMBL24360129 0.90 MCHR1 (0.44) GAAMAPTNPSR1MCHR1ADRA2A
SCHEMBL29632479 0.90 MCHR1 (0.44) GAAMAPTNPSR1MCHR1ADRA2A
SCHEMBL24360046 0.90 MCHR1 (0.48) EPHX2RAF1MCHR1ADRA2AIGF1R

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