SCHEMBL29632192

SCHEMBL29632192

COc1cccc(C(=O)NC2CCC(Nc3cc(C(F)(F)F)nc4ccccc34)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.55
ADRA2A P08913 7/20 0.55
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
MAPK1 P28482 2/20 0.49
ALDH1A1 P00352 2/20 0.49
TSHR P16473 2/20 0.49
USP2 O75604 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
ALOX15 P16050 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.48
IGF1R P08069 1/20 0.47

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
SCHEMBL24360027 1.00 MCHR1 (0.55) MCHR1ADRA2AKMT2AMEN1MAPK1
SCHEMBL24494392 0.94 MCHR1 (0.52) MCHR1ADRA2AKMT2AMEN1MAPK1
SCHEMBL29522167 0.91 GRM5 (0.55) MCHR1ADRA2AKMT2AMEN1MAPK1
SCHEMBL25110085 0.91 GRM5 (0.55) MCHR1ADRA2AKMT2AMEN1MAPK1
SCHEMBL24494484 0.91 KLK7 (0.53) MCHR1ADRA2AKMT2AMEN1ALDH1A1
SCHEMBL29632010 0.91 KLK7 (0.53) MCHR1ADRA2AKMT2AMEN1ALDH1A1
SCHEMBL24359952 0.91 KLK7 (0.53) MCHR1ADRA2AKMT2AMEN1ALDH1A1
SCHEMBL30540317 0.90 RAB9A (0.55) MCHR1ADRA2AKMT2AMEN1NPC1
SCHEMBL24360186 0.90 RAB9A (0.55) MCHR1ADRA2AKMT2AMEN1NPC1
SCHEMBL24360359 0.90 GRM5 (0.51) MCHR1ADRA2AKMT2AMAPK1ALDH1A1

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