SCHEMBL30852257

SCHEMBL30852257

CCc1cnc(C(=O)OC)c(N)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
NFKB1 P19838 1/20 0.38
APEX1 P27695 1/20 0.38
GABRB3 P28472 1/20 0.38
CASP1 P29466 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38

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
SCHEMBL30852147 0.89 NPSR1 (0.44) NPSR1KDM4EALDH1A1HSD17B10TSHR
SCHEMBL19743909 0.89 NPSR1 (0.44) NPSR1KDM4EALDH1A1HSD17B10TSHR
SCHEMBL14720728 0.83 APP (0.45) NPSR1KDM4EALDH1A1HSD17B10TSHR
SCHEMBL14720919 0.82 NPSR1 (0.38) NPSR1KDM4EALDH1A1HSD17B10TSHR
SCHEMBL3979134 0.81 GABRP (0.41) ALDH1A1MAPTGABRA1GABRG2GABRB3
SCHEMBL1680511 0.80 PLAU (0.53) NPSR1KDM4EALDH1A1HSD17B10TSHR
SCHEMBL25399004 0.78 NPSR1 (0.47) NPSR1KDM4EALDH1A1HSD17B10TSHR
SCHEMBL12248189 0.78 NPSR1 (0.47) NPSR1KDM4EALDH1A1HSD17B10TSHR
SCHEMBL25206722 0.77 NPSR1 (0.42) NPSR1KDM4EALDH1A1HSD17B10TSHR
SCHEMBL260853 0.77 NPSR1 (0.45) NPSR1KDM4EALDH1A1HSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4587014-A2 C5AR1 ANTAGONISTS AND USES THEREOF Vanqua Bio, Inc. (US) 2025-07-23 EP disclosed
WO-2024059096-A2 C5AR1 ANTAGONISTS AND USES THEREOF VANQUA BIO, INC. (US) 2024-03-21 WO disclosed