SCHEMBL31505243

SCHEMBL31505243

Cc1ccc(Nc2ccc(NC(=O)c3ccccc3CN3CCC(N4CCCCC4)CC3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ L3MBTL1 Q9Y468 3/20 0.50
▸ TSHR P16473 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ KDM4E B2RXH2 2/20 0.48
▸ VEGFA P15692 1/20 0.46
▸ EGLN1 Q9GZT9 1/20 0.46
▸ MAPT P10636 3/20 0.46
▸ GAA P10253 2/20 0.46
▸ NPC1 O15118 4/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ TDP1 Q9NUW8 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ TRPV4 Q9HBA0 1/20 0.45
▸ CCR3 P51677 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ LMNA P02545 1/20 0.43

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 0.90 L3MBTL1 (0.50) ALDH1A1L3MBTL1TSHRRECQLKDM4E
SCHEMBL31505241 0.87 ALDH1A1 (0.58) ALDH1A1L3MBTL1TSHRRECQLKDM4E
SCHEMBL31520466 0.82 TNF (0.58) ALDH1A1L3MBTL1KDM4EMAPTGAA
SCHEMBL31505242 0.80 ACKR3 (0.46) ALDH1A1L3MBTL1TSHRRECQLKDM4E
SCHEMBL23014109 0.76 L3MBTL1 (0.51) ALDH1A1L3MBTL1TSHRRECQLKDM4E
SCHEMBL29733708 0.76 L3MBTL1 (0.51) ALDH1A1L3MBTL1TSHRRECQLKDM4E
SCHEMBL31520455 0.75 RAB9A (0.62) ALDH1A1L3MBTL1KDM4EMAPTGAA
SCHEMBL31520444 0.72 NPC1 (0.61) ALDH1A1L3MBTL1KDM4ENPC1RAB9A
SCHEMBL31520463 0.72 RAB9A (0.62) ALDH1A1L3MBTL1KDM4ENPC1RAB9A
SCHEMBL31520448 0.72 NPC1 (0.62) ALDH1A1L3MBTL1KDM4EGAANPC1

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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