SCHEMBL4397596

SCHEMBL4397596

CN(c1ccccc1)C1CCN(CSC=C(C#N)C#N)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.37
DRD2 P14416 4/20 0.37
DRD4 P21917 3/20 0.37
DRD3 P35462 3/20 0.37
SIGMAR1 Q99720 3/20 0.36
USP30 Q70CQ3 1/20 0.36
HTR7 P34969 1/20 0.35
CHRM3 P20309 3/20 0.35
HRH1 P35367 2/20 0.35
OPRD1 P41143 2/20 0.35
SLC22A1 O15245 1/20 0.35
NR1I2 O75469 1/20 0.35
ABCB1 P08183 1/20 0.35
CHRM1 P11229 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35

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
SCHEMBL21375648 0.70 SIGMAR1 (0.60) OPRM1DRD2DRD4DRD3SIGMAR1
SCHEMBL4389325 0.70 USP30 (0.37) OPRM1USP30HRH1MAOAMAOB
SCHEMBL28041067 0.68 OPRM1 (0.62) OPRM1DRD2DRD4DRD3SIGMAR1
SCHEMBL901151 0.67 HTR2A (0.54) OPRM1DRD3CHRM3HRH1CHRM1
SCHEMBL10563190 0.67 OPRM1 (0.44) OPRM1DRD2DRD4DRD3SIGMAR1
SCHEMBL4388093 0.67 HRH3 (0.39) SIGMAR1OPRD1
SCHEMBL1720308 0.66 HTT (0.41) DRD2DRD3HRH1OPRL1
SCHEMBL2896994 0.66 L3MBTL3 (0.46) OPRM1DRD2DRD4DRD3SIGMAR1
SCHEMBL4395992 0.65 HRH3 (0.49) SIGMAR1HTR7
SCHEMBL154565 0.65 USP30 (0.37) USP30HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1838805-B1 ORTHOGONALLY FIXED COMPOUNDS FOR ELECTROOPTICAL APPLICATIONS UNIV BRAUNSCHWEIG TECH (DE) 2009-12-02 EP claimed