SCHEMBL31520463

SCHEMBL31520463

O=C(Nc1ccc(CN2CCC(N3CCCCC3)CC2)cc1)c1ccc(Nc2ccc(F)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.62
▸ NPC1 O15118 3/20 0.62
▸ L3MBTL1 Q9Y468 2/20 0.57
▸ MBTD1 Q05BQ5 1/20 0.57
▸ L3MBTL3 Q96JM7 1/20 0.57
▸ MCHR1 Q99705 3/20 0.56
▸ HTR2C P28335 1/20 0.56
▸ TNF P01375 2/20 0.55
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ NOD2 Q9HC29 1/20 0.54
▸ NOD1 Q9Y239 1/20 0.54
▸ TP53 P04637 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ ACKR3 P25106 3/20 0.52
▸ CTNNB1 P35222 1/20 0.51
▸ TCF7L2 Q9NQB0 1/20 0.51

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
SCHEMBL31520444 0.90 NPC1 (0.61) RAB9ANPC1L3MBTL1MBTD1L3MBTL3
SCHEMBL31520461 0.90 RAB9A (0.55) RAB9ANPC1L3MBTL1MBTD1L3MBTL3
SCHEMBL31520445 0.90 HIF1A (0.65) L3MBTL1MBTD1L3MBTL3MCHR1TNF
SCHEMBL31520466 0.89 TNF (0.58) RAB9ANPC1L3MBTL1MBTD1L3MBTL3
SCHEMBL31520448 0.89 NPC1 (0.62) RAB9ANPC1L3MBTL1MBTD1L3MBTL3
SCHEMBL31520447 0.88 MBTD1 (0.53) RAB9ANPC1L3MBTL1MBTD1L3MBTL3
SCHEMBL31520460 0.87 NPC1 (0.65) RAB9ANPC1L3MBTL1MBTD1L3MBTL3
SCHEMBL31520459 0.87 NPC1 (0.65) RAB9ANPC1L3MBTL1MBTD1L3MBTL3
SCHEMBL31505240 0.87 NPC1 (0.65) RAB9ANPC1L3MBTL1MBTD1L3MBTL3
SCHEMBL31520465 0.87 HIF1A (0.64) RAB9ANPC1L3MBTL1MBTD1L3MBTL3

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
CN-119823027-A Piperidinyl piperidine modified beta-carboline open ring compound, and preparation method and application thereof 南通大学 2025-04-15 — — CN disclosed
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