SCHEMBL25680348

SCHEMBL25680348

N#Cc1cncc(-c2nnc3n2CCN(C(c2ccccc2)c2ccccc2)C3)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.40
MGLL Q99685 2/20 0.38
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP11B2 P19099 3/20 0.35
TACR3 P29371 1/20 0.35
P2RX7 Q99572 2/20 0.35
SLC1A3 P43003 2/20 0.34
SLC1A2 P43004 2/20 0.34
KCNH2 Q12809 2/20 0.34
SLC1A1 P43005 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL25676368 0.84 DPP4 (0.43) OPRD1OPRM1OPRK1OPRL1MEN1
SCHEMBL25679304 0.83 EGFR (0.39) OPRM1OPRK1MEN1KMT2AP2RX7
SCHEMBL25679306 0.83 P2RX7 (0.39) OPRD1OPRM1CYP11B2TACR3P2RX7
SCHEMBL25679008 0.83 ALDH1A1 (0.39) OPRD1MGLLOPRM1OPRK1OPRL1
SCHEMBL25679151 0.82 CHRM2 (0.40) OPRD1MGLLOPRM1MEN1KMT2A
SCHEMBL25679300 0.80 ALDH1A1 (0.39) OPRD1OPRM1OPRK1OPRL1MEN1
SCHEMBL25679301 0.80 ALDH1A1 (0.41) OPRD1OPRM1OPRK1OPRL1MEN1
SCHEMBL25679011 0.80 HPGD (0.50) OPRD1OPRM1MEN1KMT2ATACR3
SCHEMBL25680347 0.79 ATM (0.38) OPRD1OPRM1OPRK1OPRL1MEN1
SCHEMBL25679010 0.78 HPGD (0.42) OPRD1MGLLOPRM1TACR3P2RX7

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
WO-2023122260-A2 INHIBITORS OF SARS-COV-2 THE TEXAS A&M UNIVERSITY SYSTEM (US) 2023-06-29 WO disclosed