SCHEMBL27406841

SCHEMBL27406841

CCC(c1ccccc1)N1CCN(C(=O)c2cncc(N)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.45
▸ OPRM1 P35372 1/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ OPRL1 P41146 1/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ POLB P06746 2/20 0.42
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ BLM P54132 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL27404502 0.80 MAOB (0.54) MAOBOPRM1OPRD1OPRK1OPRL1
SCHEMBL27404697 0.79 MAOB (0.56) MAOBOPRM1OPRD1OPRK1OPRL1
SCHEMBL27405979 0.78 MAOB (0.51) MAOBOPRM1OPRD1OPRK1OPRL1
SCHEMBL27404505 0.78 USP2 (0.55) MAOBMEN1KMT2ATP53NPSR1
SCHEMBL27401956 0.77 CA12 (0.48) MAOBMEN1KMT2AMAPTNPSR1
SCHEMBL27404587 0.77 MAOB (0.50) MAOBOPRM1OPRD1OPRK1OPRL1
SCHEMBL27401989 0.75 MAOB (0.51) MAOBMEN1KMT2APOLBMAPT
SCHEMBL30961626 0.75 MGLL (0.54) MAOBMEN1KMT2APOLBMAPT
SCHEMBL27402551 0.75 MGLL (0.54) MAOBMEN1KMT2APOLBMAPT
SCHEMBL27405653 0.74 MAOB (0.66) MAOBOPRD1MEN1KMT2ATP53

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
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