SCHEMBL7410311

SCHEMBL7410311

OC1CCc2c(c3cc(Cl)cc(C(F)(F)F)c3n2CCN2CCCC2)C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
TRPV1 Q8NER1 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
PTGDR2 Q9Y5Y4 5/20 0.32
PDE2A O00408 1/20 0.32
TMEM97 Q5BJF2 1/20 0.31
MCHR1 Q99705 1/20 0.30

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
SCHEMBL7403922 0.64 SCARB1 (0.48) DRD2DRD3PTGDR2
SCHEMBL7406891 0.62 DRD2 (0.48) DRD2DRD3
SCHEMBL7412556 0.60 DRD2 (0.43) DRD2DRD3PTGDR2
SCHEMBL7412207 0.59 DRD2 (0.44) DRD2DRD3PTGDR2
SCHEMBL7409383 0.59 HTR6 (0.52) DRD2DRD3PTGDR2
SCHEMBL7413051 0.58 DRD2 (0.46) DRD2DRD3PTGDR2MCHR1
SCHEMBL15533210 0.58 CYP11B1 (0.42) TRPV1
SCHEMBL7410795 0.58 HTR6 (0.51) DRD2DRD3PTGDR2
SCHEMBL7413587 0.57 CA1 (0.57) DRD2DRD3PTGDR2
SCHEMBL7410316 0.56 HTR1F (0.40)

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