SCHEMBL31295473

SCHEMBL31295473

CCn1c(=O)cc(O[C@@H](C)c2cccc(F)c2)[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.42
▸ HTR2C P28335 1/20 0.40
▸ HTR6 P50406 2/20 0.37
▸ SLC6A2 P23975 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ SLC6A4 P31645 1/20 0.36
▸ DUT P33316 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ AOC3 Q16853 1/20 0.34

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
SCHEMBL31295496 0.86 PGR (0.44) MAOBHTR2CHTR6SLC6A4ALDH1A1
SCHEMBL31295491 0.86 PGR (0.44) MAOBHTR2CHTR6SLC6A4ALDH1A1
SCHEMBL31295576 0.83 CYP3A4 (0.47) HTR2CHTR6SLC6A2SLC6A4DUT
SCHEMBL16320817 0.68 HTT (0.53) MEN1KMT2ADUT
SCHEMBL16320816 0.68 HTT (0.53) MEN1KMT2ADUT
SCHEMBL6536538 0.67 ALDH1A1 (0.47) MAOBMEN1KMT2AALDH1A1
SCHEMBL17319365 0.67 SLC6A4 (0.49) MAOBHTR2CHTR6MEN1KMT2A
SCHEMBL16324039 0.66 SMN1; SMN2 (0.69) MEN1KMT2AALDH1A1
SCHEMBL16324040 0.66 SMN1; SMN2 (0.69) MEN1KMT2AALDH1A1
SCHEMBL31295634 0.65 OPRM1 (0.44) ALDH1A1

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-119118931-A Barbituric acid derivative and preparation method thereof 武汉绿合医药科技有限公司 2024-12-13 — — CN disclosed
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