SCHEMBL29459642

SCHEMBL29459642

C#Cc1ccc(Cn2nc(C(N)=O)c3ccccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 8/20 0.49
CNR1 P21554 1/20 0.48
ELANE P08246 1/20 0.45
CYP2D6 P10635 2/20 0.44
PARP1 P09874 1/20 0.44
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
CFD P00746 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
PMP22 Q01453 1/20 0.43
HIF1A Q16665 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SCN9A Q15858 1/20 0.43
USP30 Q70CQ3 1/20 0.41

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
SCHEMBL3775553 0.85 PTGER4 (0.60) PTGER4CNR1ELANECYP2D6PARP1
SCHEMBL31647277 0.85 PTGER4 (0.60) PTGER4CNR1ELANECYP2D6PARP1
SCHEMBL24273625 0.84 PTGER4 (0.62) PTGER4CNR1ELANECYP2D6PARP1
SCHEMBL13671617 0.79 CNR1 (0.50) PTGER4CNR1ELANECYP2D6PARP1
SCHEMBL6114223 0.78 PTGER4 (0.57) PTGER4CNR1CYP2D6
SCHEMBL8591344 0.78 PTGER4 (0.52) PTGER4CNR1ELANECYP2D6CFD
SCHEMBL31647362 0.78 PTGER4 (0.58) PTGER4CNR1ELANECYP2D6
SCHEMBL14584183 0.78 RORC (0.58) ELANECYP2D6PARP1CFDCYP1A2
SCHEMBL3771874 0.77 CNR1 (0.51) PTGER4CNR1ELANECYP2D6PARP1
SCHEMBL6852969 0.77 CNR1 (0.48) PTGER4CNR1ELANECYP2D6PARP1

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