SCHEMBL29317134

SCHEMBL29317134

C[C@@H]1c2c(sc3ccccc23)C[C@@H]1C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.40
PNMT P11086 1/20 0.38
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35
DRD5 P21918 1/20 0.35
DRD3 P35462 1/20 0.35
CYP1A1 P04798 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HTR2A P28223 1/20 0.34
CYP2C19 P33261 1/20 0.34
GPER1 Q99527 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL30071485 0.83 GPR3 (0.35) GPR3PNMTALDH1A1
SCHEMBL24026964 0.68 CCKBR (0.35) GPR3PNMTCYP1A1CYP1A2CYP3A4
SCHEMBL19760754 0.67 PNMT (0.33) GPR3PNMTCYP1A1CYP1A2CYP3A4
SCHEMBL19760752 0.67 PNMT (0.33) GPR3PNMTCYP1A1CYP1A2CYP3A4
SCHEMBL23281513 0.66 GPR3 (0.38) GPR3PNMTDRD2DRD1DRD4
SCHEMBL18506308 0.66 GPR3 (0.38) GPR3PNMTDRD2DRD1DRD4
SCHEMBL29611854 0.65 PNMT (0.62) PNMT
SCHEMBL16594460 0.64 ALDH1A1 (0.41) GPR3CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL18162045 0.64 DRD2 (0.41) GPR3PNMTDRD2DRD1DRD4
SCHEMBL22133135 0.63 GPR3 (0.39) GPR3PNMTDRD2DRD1DRD4

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
EP-4400541-A1 POLYETHYLENE COMPOSITION AND BIAXIALLY STRETCHED FILM COMPRISING SAME LG Chem, Ltd. (KR) 2024-07-17 EP disclosed