SCHEMBL31539903

SCHEMBL31539903

CCC(CO)(NC(=O)c1c2cc(OCc3cccnc3C(F)(F)F)ccc2nn1C)C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.34
CD38 P28907 1/20 0.34
GRM2 Q14416 1/20 0.34
MCHR1 Q99705 5/20 0.33
KLKB1 P03952 1/20 0.31
MAPT P10636 2/20 0.31
DGAT1 O75907 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 2/20 0.31
OPRM1 P35372 2/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAOB P27338 1/20 0.31
CHRM2 P08172 1/20 0.30

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
SCHEMBL30714598 0.89 OPRL1 (0.35) OPRL1CD38GRM2MCHR1KLKB1
SCHEMBL30714582 0.87 CNR2 (0.37) OPRL1CD38MCHR1KLKB1CYP2C9
SCHEMBL30714749 0.87 OPRL1 (0.35) OPRL1CD38GRM2MCHR1KLKB1
SCHEMBL30714627 0.85 PARP10 (0.40) CYP2C9CYP2C19CYP3A4
SCHEMBL30714729 0.83 OPRL1 (0.35) OPRL1CD38GRM2KLKB1MAOB
SCHEMBL30714600 0.83 TYK2 (0.38) OPRL1CD38GRM2MCHR1KLKB1
SCHEMBL30714583 0.82 OPRL1 (0.33) OPRL1CD38GRM2MCHR1KLKB1
SCHEMBL26868368 0.82 OPRL1 (0.34) OPRL1CD38GRM2MCHR1KLKB1
SCHEMBL26696066 0.82 OPRL1 (0.33) OPRL1CD38GRM2MCHR1KLKB1
SCHEMBL30714557 0.82 NPC1 (0.37) OPRL1CD38GRM2MCHR1KLKB1

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-119968362-A Indazole derivatives for the treatment of TRPM3 mediated disorders 勒芬天主教大学 2025-05-09 CN disclosed