SCHEMBL30644098

SCHEMBL30644098

Cn1c(SCC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2-c2ccccc2)nc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 18/20 1.00
▸ HCRTR2 O43614 18/20 1.00
▸ ALDH1A1 P00352 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ MEN1 O00255 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ KMT2A Q03164 1/20 0.47

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
SCHEMBL2707045 1.00 HCRTR1 (1.00) HCRTR1HCRTR2ALDH1A1LMNAMEN1
SCHEMBL4483251 0.93 HCRTR1 (0.86) HCRTR1HCRTR2ALDH1A1LMNA
SCHEMBL4486475 0.91 HCRTR1 (0.84) HCRTR1HCRTR2ALDH1A1LMNAMEN1
SCHEMBL4485600 0.90 HCRTR1 (0.81) HCRTR1HCRTR2ALDH1A1LMNA
SCHEMBL4481929 0.89 HCRTR1 (0.79) HCRTR1HCRTR2ALDH1A1LMNAMEN1
SCHEMBL4482886 0.89 HCRTR1 (0.79) HCRTR1HCRTR2
SCHEMBL4474735 0.89 HCRTR1 (0.79) HCRTR1HCRTR2ALDH1A1LMNAMEN1
SCHEMBL4499834 0.88 HCRTR1 (0.78) HCRTR1HCRTR2MEN1CYP3A4CYP2D6
SCHEMBL4485073 0.87 HCRTR1 (0.77) HCRTR1HCRTR2ALDH1A1LMNAMEN1
SCHEMBL4493129 0.86 HCRTR1 (1.00) HCRTR1HCRTR2ALDH1A1LMNAMEN1

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
WO-2023218023-A1 THIAZOLOARYL-METHYL SUBSTITUTED CYCLIC HYDRAZINE-N-CARBOXAMIDE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2023-11-16 — — WO disclosed
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