SCHEMBL7412979

SCHEMBL7412979

CCc1ccccc1-n1c2c(c3cc(Cc4ccccc4)ccc31)CC(O)CC2

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
PTGDR2 Q9Y5Y4 7/20 0.34
HTR6 P50406 5/20 0.33
GRIN2B Q13224 1/20 0.33
EGFR P00533 2/20 0.33
IGF1R P08069 2/20 0.33
FLT4 P35916 2/20 0.33
KDR P35968 2/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
MEN1 O00255 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32

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
SCHEMBL7408673 0.89 HTR6 (0.45) PTGDR2HTR6
SCHEMBL7412976 0.77 DRD2 (0.51) DRD2DRD3PTGDR2HTR6EGFR
SCHEMBL7408670 0.67 HTR6 (0.48) DRD2PTGDR2HTR6EGFRIGF1R
SCHEMBL11834194 0.66 AKR1C3 (0.47) PTGDR2
SCHEMBL17698620 0.64 HTR6 (0.58) DRD2DRD3HTR6GRIN2B
SCHEMBL7411294 0.63 DRD3 (0.58) DRD2DRD3PTGDR2HTR6MEN1
SCHEMBL25932540 0.63 CA1 (0.47) DRD2DRD3HTR6MEN1TSHR
SCHEMBL1724852 0.62 TRPV1 (0.53)
SCHEMBL4892347 0.62 PTGS1 (0.46) HTR6
SCHEMBL17698628 0.61 CYP1A2 (0.59) DRD2DRD3HTR6TSHR

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 4 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-4062864-A ANALGESIC, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1977-12-13 US disclosed
US-3959309-A ANALGESICS, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1976-05-25 US disclosed