SCHEMBL30968475

SCHEMBL30968475

N[C@H]1COc2nc(Cl)ccc2C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.32
MEN1 O00255 1/20 0.32
HTR3B O95264 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
HTR3A P46098 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
OPRK1 P41145 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
SCHEMBL20722801 1.00 HTR3E (0.32) HTR3EMEN1HTR3BCYP1A2CYP2D6
SCHEMBL20722799 1.00 HTR3E (0.32) HTR3EMEN1HTR3BCYP1A2CYP2D6
SCHEMBL20722902 0.71 P2RX7 (0.40)
SCHEMBL20722904 0.71 P2RX7 (0.40)
SCHEMBL10200435 0.69 PNMT (0.34) HTR2AHTR2CHTR2B
SCHEMBL23066271 0.68 OGA (0.34) CYP1A2
SCHEMBL30492969 0.68 OGA (0.34) CYP1A2
SCHEMBL30492966 0.68 OGA (0.34) CYP1A2
Hydrochloric Acid SCHEMBL2110056 0.68 PNMT (0.33) HTR2AHTR2CHTR2B
SCHEMBL431457 0.67 HRH4 (0.39)

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-112867712-B Carboxamide as ubiquitin-specific protease inhibitor 瓦洛早期发现股份有限公司 2024-07-16 CN disclosed