SCHEMBL9325508

SCHEMBL9325508

CSCCC(C#N)(CCN(C)C)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.56
DRD3 P35462 4/20 0.56
DRD2 P14416 3/20 0.56
DRD4 P21917 3/20 0.56
CYP2D6 P10635 2/20 0.56
EBP Q15125 3/20 0.44
SIGMAR1 Q99720 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP3A4 P08684 1/20 0.40
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRK1 P41145 1/20 0.38
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.36
BCL2 P10415 1/20 0.35
GAA P10253 1/20 0.35
HTR7 P34969 1/20 0.33

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
Hydrochloric Acid SCHEMBL9571830 0.99 OPRM1 (0.55) OPRM1DRD3DRD2DRD4CYP2D6
SCHEMBL10243635 0.81 OPRM1 (0.63) OPRM1DRD3DRD2DRD4CYP2D6
Hydrochloric Acid SCHEMBL10926134 0.79 OPRM1 (0.56) OPRM1DRD3DRD2DRD4CYP2D6
SCHEMBL11530730 0.79 CYP2D6 (0.56) OPRM1DRD3DRD2DRD4CYP2D6
SCHEMBL10925326 0.75 TAAR1 (0.53) OPRM1DRD3DRD2DRD4CYP2D6
SCHEMBL11646369 0.75 SIGMAR1 (0.64) OPRM1DRD3DRD2DRD4CYP2D6
SCHEMBL11536775 0.73 EBP (0.50) OPRM1DRD3DRD2DRD4CYP2D6
SCHEMBL10576824 0.73 OPRM1 (0.52) OPRM1DRD3DRD2DRD4CYP2D6
SCHEMBL11646224 0.73 SIGMAR1 (0.55) OPRM1DRD3DRD2DRD4CYP2D6
SCHEMBL24683553 0.73 OPRM1 (1.00) OPRM1DRD3DRD2DRD4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5308735-A Aromatic-aldehyde resins, improved solubility NIPPON PAINT CO., LTD. (JP) 1994-05-03 US disclosed
EP-0540016-A1 Photosensitive resin and resin composition for lithographic printing Nippon Paint Co., Ltd. (JP) 1993-05-05 EP disclosed