SCHEMBL31520445

SCHEMBL31520445

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 6/20 0.65
▸ EPAS1 Q99814 6/20 0.65
▸ TRPV4 Q9HBA0 1/20 0.55
▸ MBTD1 Q05BQ5 1/20 0.55
▸ L3MBTL3 Q96JM7 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ TNF P01375 1/20 0.53
▸ PRKAB2 O43741 2/20 0.53
▸ PRKAG1 P54619 2/20 0.53
▸ PRKAA2 P54646 2/20 0.53
▸ PRKAA1 Q13131 2/20 0.53
▸ PRKAG3 Q9UGI9 2/20 0.53
▸ PRKAG2 Q9UGJ0 2/20 0.53
▸ PRKAB1 Q9Y478 2/20 0.53
▸ ACKR3 P25106 1/20 0.53
▸ DNMT1 P26358 1/20 0.52
▸ EHMT2 Q96KQ7 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ ADRB2 P07550 1/20 0.52

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
SCHEMBL31520463 0.90 RAB9A (0.62) HIF1AEPAS1MBTD1L3MBTL3L3MBTL1
SCHEMBL31520444 0.89 NPC1 (0.61) MBTD1L3MBTL3L3MBTL1TNFACKR3
SCHEMBL31520449 0.88 TNF (0.58) HIF1AEPAS1MBTD1L3MBTL3L3MBTL1
SCHEMBL31520466 0.88 TNF (0.58) MBTD1L3MBTL3L3MBTL1TNFACKR3
SCHEMBL31520448 0.88 NPC1 (0.62) MBTD1L3MBTL3L3MBTL1TNFCYP2C9
SCHEMBL31505240 0.85 NPC1 (0.65) MBTD1L3MBTL3L3MBTL1TNFCYP2C9
SCHEMBL31520459 0.85 NPC1 (0.65) MBTD1L3MBTL3L3MBTL1TNFCYP2C9
SCHEMBL31520460 0.85 NPC1 (0.65) MBTD1L3MBTL3L3MBTL1TNFCYP2C9
SCHEMBL31520465 0.85 HIF1A (0.64) HIF1AEPAS1MBTD1L3MBTL3L3MBTL1
SCHEMBL31520447 0.84 MBTD1 (0.53) HIF1AEPAS1MBTD1L3MBTL3L3MBTL1

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