SCHEMBL30930328

SCHEMBL30930328

COc1ccc(N(Cc2n[nH]c3c2CC(O)CC3)C(=O)Nc2ccc(F)c(Cl)c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 12/20 0.38
▸ OXTR P30559 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ PABPC1 P11940 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP2D6 P10635 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL30930323 0.91 MCHR1 (0.36) MCHR1OXTRMEN1PABPC1KMT2A
SCHEMBL30930351 0.91 MCHR1 (0.36) MCHR1OXTRMEN1PABPC1KMT2A
SCHEMBL30930466 0.91 MCHR1 (0.36) MCHR1OXTRMEN1PABPC1KMT2A
SCHEMBL30930374 0.91 MCHR1 (0.36) MCHR1OXTRMEN1PABPC1KMT2A
SCHEMBL30930463 0.89 MEN1 (0.38) MCHR1OXTRMEN1PABPC1KMT2A
SCHEMBL30930428 0.89 MEN1 (0.38) MCHR1OXTRMEN1PABPC1KMT2A
SCHEMBL30930420 0.88 SMN1; SMN2 (0.36) MCHR1OXTRMEN1PABPC1KMT2A
SCHEMBL30930454 0.87 MEN1 (0.38) MCHR1OXTRMEN1PABPC1KMT2A
SCHEMBL30930461 0.86 MEN1 (0.36) MCHR1OXTRMEN1PABPC1KMT2A
SCHEMBL30930480 0.85 OXTR (0.36) MCHR1OXTRMEN1PABPC1KMT2A

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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