SCHEMBL31490092

SCHEMBL31490092

Nc1ccc2c(c1)N(Cc1ccccc1)C(CC(O)CO)CO2

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.34
▸ DRD2 P14416 8/20 0.33
▸ DRD3 P35462 8/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ CYP19A1 P11511 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HTT P42858 1/20 0.31

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
SCHEMBL23769067 1.00 HDAC1 (0.34) HDAC1DRD2DRD3CYP3A4CYP19A1
SCHEMBL29979097 0.86 SIGMAR1 (0.39) DRD2DRD3LMNAHTT
SCHEMBL31490283 0.84 MEN1 (0.39) HDAC1DRD2DRD3CYP19A1LMNA
SCHEMBL23769085 0.84 MEN1 (0.39) HDAC1DRD2DRD3CYP19A1LMNA
SCHEMBL31490100 0.83 KMT2A (0.38) LMNAHTT
SCHEMBL23769065 0.83 KMT2A (0.38) LMNAHTT
SCHEMBL23769078 0.79 DRD2 (0.34) HDAC1DRD2DRD3CYP19A1LMNA
SCHEMBL31490134 0.79 DRD2 (0.34) HDAC1DRD2DRD3CYP19A1LMNA
SCHEMBL23769066 0.75 CCR3 (0.36) HDAC1HTT
SCHEMBL29979358 0.75 CCR3 (0.36) HDAC1HTT

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-115151304-B Small molecule interferon gene stimulating factor (STING) antagonists 库拉德夫制药私人有限公司 2025-02-11 — — CN disclosed
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