SCHEMBL31729705

SCHEMBL31729705

O=C(O)c1cccc(Cn2ccc3ccc(Cl)c(Cl)c32)c1F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 8/20 0.43
TSHR P16473 1/20 0.40
PTGER4 P35408 4/20 0.35
PTGDR Q13258 3/20 0.35
FLT1 P17948 1/20 0.35
KDR P35968 1/20 0.35
BCL2 P10415 1/20 0.35
MCL1 Q07820 1/20 0.35
PTGER2 P43116 2/20 0.34
TBXA2R P21731 1/20 0.34
PTGER1 P34995 1/20 0.34
PTGFR P43088 1/20 0.34
PTGER3 P43115 1/20 0.34
NOTUM Q6P988 1/20 0.34
CCR2 P41597 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
CLCN2 P51788 1/20 0.34

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
SCHEMBL31729726 0.86 MRGPRX4 (0.44) MRGPRX4PTGER4PTGDRFLT1KDR
SCHEMBL31729772 0.83 MRGPRX4 (0.45) MRGPRX4PTGER4PTGDRFLT1KDR
SCHEMBL31729719 0.82 MRGPRX4 (0.49) MRGPRX4PTGER4PTGDRCCR2
SCHEMBL31729740 0.81 MRGPRX4 (0.43) MRGPRX4TSHRFLT1KDRBCL2
SCHEMBL31729700 0.80 MRGPRX4 (0.46) MRGPRX4FLT1KDRBCL2MCL1
SCHEMBL31729688 0.79 HTR2A (0.43) MRGPRX4TSHRSLC22A12
SCHEMBL31729748 0.79 MRGPRX4 (0.53) MRGPRX4PTGER4PTGDRFLT1KDR
SCHEMBL31729696 0.78 MRGPRX4 (0.45) MRGPRX4PTGER4PTGDRBCL2MCL1
SCHEMBL31729729 0.78 MRGPRX4 (0.42) MRGPRX4PTGER4PTGDRFLT1KDR
SCHEMBL31729750 0.73 MRGPRX4 (0.49) MRGPRX4BCL2MCL1SLC22A12

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
EP-4650345-A1 HETEROCYCLIC COMPOUND AND USE THEREOF IN MEDICINE Kangbaida (Sichuan) Biotechnology Co., Ltd. (CN) 2025-11-19 EP disclosed