SCHEMBL8765338

SCHEMBL8765338

CCN(SC)C1CCc2ccc([N+](=O)[O-])cc2C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.46
PNMT P11086 5/20 0.44
ADRA2A P08913 4/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
DRD2 P14416 7/20 0.42
DRD3 P35462 6/20 0.42
DRD4 P21917 5/20 0.42
MCHR1 Q99705 1/20 0.40
HTR1A P08908 1/20 0.39
MEN1 O00255 1/20 0.39
ADRB2 P07550 1/20 0.39
CYP2D6 P10635 1/20 0.39
CASP1 P29466 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL1953206 0.82 DRD2 (0.59) GRIN2BPNMTADRA2AADRA2BADRA2C
SCHEMBL29507804 0.82 DRD2 (0.59) GRIN2BPNMTADRA2AADRA2BADRA2C
SCHEMBL12004879 0.76 PNMT (0.56) PNMTADRA2AADRA2BADRA2C
SCHEMBL1950952 0.76 DRD2 (0.51) GRIN2BPNMTADRA2AADRA2BADRA2C
SCHEMBL24773358 0.76 GRIN2B (0.52) GRIN2BPNMTADRA2AADRA2BADRA2C
SCHEMBL30942655 0.76 PNMT (0.50) GRIN2BPNMTADRA2AADRA2BADRA2C
SCHEMBL6575309 0.76 PNMT (0.50) GRIN2BPNMTADRA2AADRA2BADRA2C
SCHEMBL14878929 0.75 PNMT (0.55) PNMTADRA2AADRA2BADRA2CDRD2
SCHEMBL8191977 0.74 GRIN2B (0.58) GRIN2BDRD2DRD3DRD4CYP2D6
Hydrochloric Acid SCHEMBL8193875 0.73 GRIN2B (0.57) GRIN2BDRD2DRD3DRD4CYP2D6

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
EP-0583485-B1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-13 EP disclosed
US-5387710-A Ethanolamine derivatives having sympathomimetic and anti-pollakiuria activities FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-02-07 US disclosed
EP-0583485-A1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES. FUJISAWA PHARMACEUTICAL CO (JP) 1994-02-23 EP disclosed
WO-1993015041-A1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-05 WO disclosed