SCHEMBL30644100

SCHEMBL30644100

Cc1ccc(-n2nccn2)c(C(=O)OC(=O)N2CCCN2)c1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.43
HCRTR2 O43614 18/20 0.43
CYP3A4 P08684 2/20 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
Hydrochloric Acid SCHEMBL30644096 0.85 HCRTR2 (0.50) HCRTR1HCRTR2CYP3A4
Hydrochloric Acid SCHEMBL26643055 0.85 HCRTR2 (0.50) HCRTR1HCRTR2CYP3A4
SCHEMBL13733737 0.81 HCRTR2 (0.49) HCRTR1HCRTR2CYP3A4
SCHEMBL23018148 0.74 HCRTR2 (0.58) HCRTR1HCRTR2CYP3A4
SCHEMBL17501828 0.72 ALDH1A1 (0.49) HCRTR1HCRTR2
SCHEMBL17501812 0.71 HCRTR2 (0.65) HCRTR1HCRTR2
SCHEMBL27854226 0.71 HCRTR1 (0.52) HCRTR1HCRTR2CYP3A4
SCHEMBL17501820 0.71 HCRTR1 (0.46) HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL26643081 0.71 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL2358754 0.70 HCRTR2 (0.64) HCRTR1HCRTR2

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