SCHEMBL29459644

SCHEMBL29459644

COC(=O)c1nn(Cc2ccc(Cl)cc2)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 8/20 0.61
ELANE P08246 2/20 0.52
F2 P00734 1/20 0.52
PLAU P00749 1/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
TSHR P16473 1/20 0.52
PMP22 Q01453 1/20 0.52
HIF1A Q16665 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
DRD2 P14416 4/20 0.50
TBXA2R P21731 4/20 0.50
CNR1 P21554 1/20 0.49
MCL1 Q07820 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL24273650 1.00 PTGER4 (0.61) PTGER4ELANEF2PLAUCYP1A2
SCHEMBL1897336 0.91 PTGER4 (0.59) PTGER4ELANEF2PLAUCYP1A2
SCHEMBL1214430 0.89 PTGER4 (0.62) PTGER4ELANEF2PLAUCYP1A2
SCHEMBL2433523 0.89 PTGER4 (0.68) PTGER4ELANEF2PLAUCNR1
SCHEMBL17322915 0.88 ELANE (0.67) PTGER4ELANEF2PLAUCYP1A2
SCHEMBL19381384 0.88 PTGER4 (0.58) PTGER4ELANEF2PLAUCYP1A2
SCHEMBL3428140 0.86 PTGER4 (0.52) PTGER4ELANEF2PLAUCYP1A2
SCHEMBL3430873 0.85 PTGER4 (0.51) PTGER4ELANEF2PLAUCYP1A2
SCHEMBL998543 0.84 CYP1A2 (0.75) PTGER4ELANEF2PLAUCYP1A2
SCHEMBL29459648 0.84 CYP1A2 (0.75) PTGER4ELANEF2PLAUCYP1A2

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
EP-4213839-A2 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2023-07-26 EP disclosed
CN-116438162-A Modulators of MAS-related G protein receptor X4 and related products and methods 伊赛恩特制药公司 2023-07-14 CN disclosed
WO-2022061008-A2 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2022-03-24 WO disclosed