SCHEMBL7412207

SCHEMBL7412207

C[S+]([O-])c1ccc2c(c1)c1c(n2CCN2CCSCC2)CCC(O)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
PTGDR2 Q9Y5Y4 15/20 0.33
TBXA2R P21731 3/20 0.31
PTGDR Q13258 3/20 0.31
ABCB11 O95342 1/20 0.31
CYP2C9 P11712 1/20 0.31
DRD1 P21728 1/20 0.31
CCKAR P32238 1/20 0.31
EGFR P00533 1/20 0.31
IGF1R P08069 1/20 0.31
FLT4 P35916 1/20 0.31
KDR P35968 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL7412095 0.89 HTR6 (0.39) PTGDR2
SCHEMBL7405922 0.77 HTR6 (0.36) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL7403922 0.74 SCARB1 (0.48) DRD2DRD3PTGDR2TBXA2RPTGDR
SCHEMBL7406891 0.72 DRD2 (0.48) DRD2DRD3L3MBTL1
SCHEMBL7412556 0.72 DRD2 (0.43) DRD2DRD3PTGDR2EGFRIGF1R
SCHEMBL7413051 0.70 DRD2 (0.46) DRD2DRD3PTGDR2KDM4E
SCHEMBL7407733 0.70 DRD2 (0.49) DRD2DRD3PTGDR2TBXA2RPTGDR
SCHEMBL7408143 0.63 SCARB1 (0.52)
SCHEMBL7412976 0.63 DRD2 (0.51) DRD2DRD3PTGDR2EGFRIGF1R
SCHEMBL7410175 0.62 DRD2 (0.58) DRD2DRD3PTGDR2TBXA2RPTGDR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4257952-A PSYCHOTROPIC DRUGS, ANALGESICS, ANTIHISTAMINES STERLING DRUG INC. (US) 1981-03-24 US disclosed
US-4172834-A ANALGESICS, ANTIHISTAMINES AND PSYCHOTROPIC AGENTS STERLING DRUG INC. (US) 1979-10-30 US disclosed
US-3959309-A ANALGESICS, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1976-05-25 US disclosed