SCHEMBL7412957

SCHEMBL7412957

CN(C)C1CCc2c(c3ccccc3n2CCN2CCOCC2)C1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.52
DRD3 P35462 1/20 0.52
HTR6 P50406 9/20 0.49
PTGDR2 Q9Y5Y4 4/20 0.48
TBXA2R P21731 3/20 0.48
PTGDR Q13258 3/20 0.48
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.45
CNR2 P34972 2/20 0.43

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
SCHEMBL7409383 0.92 HTR6 (0.52) DRD2DRD3HTR6PTGDR2TBXA2R
SCHEMBL7410795 0.91 HTR6 (0.51) DRD2DRD3HTR6PTGDR2TBXA2R
SCHEMBL7416712 0.90 DRD2 (0.53) DRD2DRD3HTR6PTGDR2TBXA2R
SCHEMBL7407733 0.89 DRD2 (0.49) DRD2DRD3HTR6PTGDR2TBXA2R
SCHEMBL7410819 0.88 DRD3 (0.68) DRD2DRD3HTR6PTGDR2TBXA2R
SCHEMBL7457381 0.88 DRD2 (0.48) DRD2DRD3HTR6PTGDR2TBXA2R
SCHEMBL7407295 0.83 HTR6 (0.52) HTR6PTGDR2
SCHEMBL7410827 0.82 PTGDR2 (0.54) DRD2DRD3HTR6PTGDR2TBXA2R
SCHEMBL7412035 0.82 HTR6 (0.55) DRD2DRD3HTR6PTGDR2TBXA2R
SCHEMBL7409349 0.81 HTR6 (0.56) DRD2DRD3HTR6PTGDR2TBXA2R

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