SCHEMBL31505241

SCHEMBL31505241

O=C(Nc1ccc(Br)cc1)c1ccccc1CN1CCC(N2CCCCC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.58
▸ L3MBTL1 Q9Y468 3/20 0.58
▸ TSHR P16473 1/20 0.58
▸ RECQL P46063 1/20 0.58
▸ GAA P10253 2/20 0.49
▸ FLT1 P17948 2/20 0.48
▸ KDR P35968 2/20 0.48
▸ MAPT P10636 1/20 0.47
▸ TNIK Q9UKE5 1/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ L3MBTL3 Q96JM7 3/20 0.46
▸ FPR2 P25090 1/20 0.46
▸ MBTD1 Q05BQ5 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44

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
SCHEMBL31505245 0.87 L3MBTL1 (0.50) ALDH1A1L3MBTL1TSHRRECQLFLT1
SCHEMBL31505243 0.87 ALDH1A1 (0.50) ALDH1A1L3MBTL1TSHRRECQLGAA
SCHEMBL31505240 0.81 NPC1 (0.65) ALDH1A1L3MBTL1GAATNIKRAB9A
SCHEMBL31520459 0.81 NPC1 (0.65) ALDH1A1L3MBTL1GAATNIKRAB9A
SCHEMBL31520460 0.81 NPC1 (0.65) ALDH1A1L3MBTL1GAATNIKRAB9A
SCHEMBL31505242 0.80 ACKR3 (0.46) ALDH1A1L3MBTL1TSHRRECQLGAA
SCHEMBL31520448 0.80 NPC1 (0.62) ALDH1A1L3MBTL1GAATNIKRAB9A
SCHEMBL23014109 0.77 L3MBTL1 (0.51) ALDH1A1L3MBTL1TSHRRECQLL3MBTL3
SCHEMBL29733708 0.77 L3MBTL1 (0.51) ALDH1A1L3MBTL1TSHRRECQLL3MBTL3
SCHEMBL31520464 0.70 RAB9A (0.56) ALDH1A1L3MBTL1GAAMAPTRAB9A

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-119874605-A Benzoyl piperidinyl piperidine derivatives, preparation method and application thereof 南通大学 2025-04-25 — — CN disclosed
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