SCHEMBL30930414

SCHEMBL30930414

COc1ccc(N(Cc2n[nH]c3c2CCCC3)C(=O)Nc2ccc(F)c(Cl)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.47
▸ HTT P42858 3/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ POLB P06746 3/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ MCHR1 Q99705 4/20 0.40
▸ HCRTR1 O43613 1/20 0.40
▸ HCRTR2 O43614 1/20 0.40
▸ PARP1 P09874 3/20 0.40
▸ CYP2D6 P10635 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
SCHEMBL30930376 0.98 MAPT (0.47) MAPTHTTNPC1RAB9ASMN1; SMN2
SCHEMBL30930355 0.93 MAPT (0.42) MAPTHTTNPC1RAB9ASMN1; SMN2
SCHEMBL30930458 0.92 MAPT (0.43) MAPTHTTNPC1RAB9ASMN1; SMN2
SCHEMBL30930428 0.89 MEN1 (0.38) MAPTHTTNPC1RAB9ASMN1; SMN2
SCHEMBL30930306 0.88 NPSR1 (0.43) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL30930320 0.88 MCHR1 (0.46) MAPTHTTNPC1RAB9ASMN1; SMN2
SCHEMBL30930310 0.88 MCHR1 (0.39) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL30930446 0.87 CYP2D6 (0.37) MAPTHTTNPC1RAB9ASMN1; SMN2
SCHEMBL30930463 0.87 MEN1 (0.38) MAPTHTTNPC1RAB9ASMN1; SMN2
SCHEMBL30930375 0.86 CYP2D6 (0.39) MAPTNPSR1KMT2AALDH1A1TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118103363-A Novel capsid assembly inhibitor 南韩商AM科学股份有限公司 2024-05-28 — — CN claimed
CN-118103363-A Novel capsid assembly inhibitor 南韩商AM科学股份有限公司 2024-05-28 — — CN disclosed
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