SCHEMBL7412976

SCHEMBL7412976

OC1CCc2c(c3cc(Cc4ccccc4)ccc3n2CCc2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.51
DRD3 P35462 1/20 0.51
EGFR P00533 4/20 0.48
IGF1R P08069 4/20 0.48
FLT4 P35916 4/20 0.48
KDR P35968 4/20 0.48
HTR6 P50406 9/20 0.47
HRH1 P35367 8/20 0.47
ADRA2A P08913 2/20 0.47
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
HTR7 P34969 2/20 0.47
ADRA1A P35348 2/20 0.47
PTGDR2 Q9Y5Y4 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL7408670 0.87 HTR6 (0.48) DRD2EGFRIGF1RFLT4KDR
SCHEMBL7412979 0.77 DRD2 (0.35) DRD2DRD3EGFRIGF1RFLT4
SCHEMBL7411294 0.76 DRD3 (0.58) DRD2DRD3HTR6ADRA2AADRA1A
SCHEMBL7413558 0.75 HRH1 (0.42) DRD2EGFRIGF1RFLT4KDR
SCHEMBL13887068 0.73 HTR6 (0.66) DRD2HTR6HRH1ADRA2AHTR2A
SCHEMBL7408712 0.73 HTR6 (0.42) DRD2EGFRIGF1RFLT4KDR
SCHEMBL7409349 0.73 HTR6 (0.56) DRD2DRD3HTR6HRH1ADRA2A
SCHEMBL7413587 0.71 CA1 (0.57) DRD2DRD3HTR6ADRA2AADRA1A
SCHEMBL7410175 0.71 DRD2 (0.58) DRD2DRD3HTR6HRH1ADRA2A
SCHEMBL7410052 0.69 DRD2 (0.65) DRD2DRD3HTR6HRH1ADRA2A

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