SCHEMBL27411322

SCHEMBL27411322

NC(=O)C[C@H]1CN(C(c2ccccc2)c2ccccc2)CCN1C(O)c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
OPRL1 P41146 1/20 0.42
CYP3A4 P08684 2/20 0.41
CYP3A5 P20815 2/20 0.41
SLC6A9 P48067 1/20 0.41
NAMPT P43490 1/20 0.40
MGLL Q99685 2/20 0.39
SLC1A2 P43004 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
PLA2G7 Q13093 1/20 0.39
ABHD6 Q9BV23 1/20 0.39

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
SCHEMBL27402018 0.80 CACNA1A (0.44) OPRM1OPRD1OPRK1OPRL1SLC6A9
SCHEMBL27400620 0.73 SLC1A2 (0.44) OPRM1OPRD1OPRK1OPRL1SLC1A2
SCHEMBL27411474 0.72 OPRD1 (0.41) OPRM1OPRD1OPRK1OPRL1CYP3A4
SCHEMBL27403138 0.68 CACNA1A (0.49) OPRM1OPRD1OPRK1OPRL1CYP3A4
SCHEMBL27403172 0.67 OPRD1 (0.45) OPRD1NAMPT
SCHEMBL27411313 0.67 PIK3CD (0.43) CYP3A4NAMPTALDH1A1LMNA
SCHEMBL31350736 0.66 FNTA (0.76) CYP3A4CYP3A5ALDH1A1
SCHEMBL27403084 0.66 CACNA1A (0.58) OPRM1OPRD1OPRK1OPRL1CYP3A4
SCHEMBL15094226 0.65 CYP3A4 (0.64) OPRM1OPRD1OPRK1OPRL1CYP3A4
SCHEMBL5547410 0.65 CACNA2D1 (0.80) OPRM1OPRD1OPRK1OPRL1CYP3A4

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-2024124287-A1 COMPOUNDS FOR TREATING VIRAL INFECTION THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2024-06-20 WO disclosed