SCHEMBL27411474

SCHEMBL27411474

C=CC#CC1CN(C(c2ccccc2)c2ccccc2)CCN1C(O)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.41
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41
MGLL Q99685 2/20 0.38
CYP3A4 P08684 4/20 0.37
CYP3A5 P20815 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PLA2G7 Q13093 1/20 0.36
ABHD6 Q9BV23 1/20 0.36
NAMPT P43490 1/20 0.35

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
SCHEMBL27411322 0.72 OPRM1 (0.42) OPRD1OPRM1OPRK1OPRL1MGLL
SCHEMBL27400620 0.65 SLC1A2 (0.44) OPRD1OPRM1OPRK1OPRL1
SCHEMBL27403139 0.65 MGLL (0.43) MGLLNAMPT
SCHEMBL31350876 0.63
SCHEMBL9853103 0.63
SCHEMBL27403172 0.63 OPRD1 (0.45) OPRD1SMN1; SMN2NAMPT
SCHEMBL19464249 0.62 KCNA5 (0.54) OPRD1OPRM1OPRK1OPRL1CYP3A4
SCHEMBL27403084 0.61 CACNA1A (0.58) OPRD1OPRM1OPRK1OPRL1CYP3A4
SCHEMBL9251253 0.61 MEN1 (0.72) OPRD1OPRM1OPRK1OPRL1CYP3A4
SCHEMBL15094226 0.60 CYP3A4 (0.64) OPRD1OPRM1OPRK1OPRL1MGLL

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