SCHEMBL25679014

SCHEMBL25679014

c1ccc(C(c2ccccc2)N2CCn3c(nnc3-c3ccco3)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.47
KDM4E B2RXH2 5/20 0.47
HSD17B10 Q99714 5/20 0.47
NPSR1 Q6W5P4 5/20 0.47
HPGD P15428 3/20 0.47
TSHR P16473 3/20 0.47
LMNA P02545 3/20 0.45
GAA P10253 2/20 0.45
NPC1 O15118 1/20 0.45
USP2 O75604 1/20 0.45
RAB9A P51151 1/20 0.45
P2RX7 Q99572 1/20 0.44
OPRM1 P35372 2/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
MAPT P10636 3/20 0.39
SIRT1 Q96EB6 1/20 0.38
VCP P55072 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37

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
SCHEMBL25679011 0.83 HPGD (0.50) ALDH1A1KDM4EHPGDLMNAGAA
SCHEMBL25680564 0.79 TACR3 (0.37) ALDH1A1KDM4ENPSR1HPGDTSHR
SCHEMBL25679151 0.78 CHRM2 (0.40) ALDH1A1KDM4EHSD17B10NPSR1HPGD
SCHEMBL25679010 0.78 HPGD (0.42) ALDH1A1KDM4ENPSR1HPGDTSHR
SCHEMBL25679853 0.77 CHRM2 (0.49) ALDH1A1KDM4ENPSR1HPGDTSHR
SCHEMBL25679855 0.77 P2RX7 (0.49) KDM4EHPGDP2RX7OPRM1OPRD1
SCHEMBL25679141 0.76 TACR3 (0.58) KDM4ENPSR1P2RX7OPRD1CYP2D6
SCHEMBL12905247 0.76 P2RX7 (0.48) ALDH1A1KDM4EHSD17B10NPSR1HPGD
SCHEMBL25680562 0.75 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10NPSR1HPGD
SCHEMBL25679145 0.75 P2RX7 (0.47) ALDH1A1KDM4EHSD17B10NPSR1HPGD

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