SCHEMBL27400620

SCHEMBL27400620

OC(c1cccnc1)N1CCN(C(c2ccccc2)c2ccccc2)C(CNCc2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 2/20 0.44
THRB P10828 1/20 0.42
LMNA P02545 2/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
CXCR4 P61073 1/20 0.38
TP53 P04637 1/20 0.37
SLC1A3 P43003 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 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
SCHEMBL27407382 0.80 ALDH1A1 (0.46)
SCHEMBL27411322 0.73 OPRM1 (0.42) SLC1A2LMNAOPRM1OPRD1OPRK1
SCHEMBL27411587 0.73 ALDH1A1 (0.38) LMNAOPRM1OPRD1OPRK1OPRL1
SCHEMBL27401275 0.67 ALDH1A1 (0.44)
SCHEMBL25224644 0.67 LMNA (0.57) LMNA
SCHEMBL27411318 0.66 ALDH1A1 (0.44)
SCHEMBL27400622 0.65 ALDH1A1 (0.55) LMNAMAPK1
SCHEMBL27411667 0.65 ALDH1A1 (0.57) MAPK1
SCHEMBL27411474 0.65 OPRD1 (0.41) OPRM1OPRD1OPRK1OPRL1
SCHEMBL19464249 0.64 KCNA5 (0.54) OPRM1OPRD1OPRK1OPRL1

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