SCHEMBL30740754

SCHEMBL30740754

COC(=O)c1cnc(COc2ccc(Cl)cc2Cl)o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 8/20 0.59
POLB P06746 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 2/20 0.50
S1PR4 O95977 1/20 0.50
GAA P10253 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPT P10636 3/20 0.48
TP53 P04637 2/20 0.47
TSHR P16473 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 2/20 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
SCHEMBL30740736 0.86 MRGPRX4 (0.64) MRGPRX4POLBNPC1RAB9AKMT2A
SCHEMBL3152910 0.75 MRGPRX4 (0.53) MRGPRX4KMT2AS1PR4MAPTTP53
SCHEMBL3148906 0.75 MRGPRX4 (0.53) MRGPRX4POLBNPC1RAB9AKMT2A
SCHEMBL24793360 0.75 HPGD (0.55) MRGPRX4POLBNPC1RAB9AKMT2A
SCHEMBL30745399 0.75 HPGD (0.55) MRGPRX4POLBNPC1RAB9AKMT2A
SCHEMBL29826789 0.74 KMT2A (0.49) MRGPRX4POLBNPC1RAB9AKMT2A
SCHEMBL22480845 0.74 MRGPRX4 (1.00) MRGPRX4POLBNPC1RAB9AKMT2A
SCHEMBL22469924 0.73 MRGPRX4 (0.58) MRGPRX4NPC1RAB9AKMT2AS1PR4
SCHEMBL22480484 0.73 MRGPRX4 (1.00) MRGPRX4S1PR4CYP1A2CYP3A4CYP2C9
SCHEMBL22480888 0.72 MRGPRX4 (0.74) MRGPRX4NPC1RAB9AMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117043154-A GPCR receptor agonists, pharmaceutical compositions comprising same, and methods of use thereof 卡莫特医疗有限公司 2023-11-10 CN disclosed