SCHEMBL8428902

SCHEMBL8428902

CC(C#N)C1CCc2cc([N+](=O)[O-])ccc2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 6/20 0.38
ADRA2A P08913 5/20 0.38
ADRA2B P18089 4/20 0.38
ADRA2C P18825 4/20 0.38
MLNR O43193 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
HTR1A P08908 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD2 P14416 1/20 0.37
KCNE1 P15382 1/20 0.37
CNR1 P21554 1/20 0.37
SLC6A2 P23975 1/20 0.37
NPY1R P25929 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
AVPR2 P30518 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37

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
SCHEMBL8426345 0.88 PNMT (0.42) PNMTADRA2AADRA2BADRA2CALDH1A1
SCHEMBL14069697 0.79 DRD2 (0.56) ADRA2AADRA2BADRA2CMLNRADRB2
SCHEMBL8425198 0.78 MLNR (0.40) ADRA2AADRA2BADRA2CMLNRADRB2
SCHEMBL6490826 0.73 MEN1 (0.41) PNMTADRA2AALDH1A1CHRNB4CHRNA3
SCHEMBL8428904 0.73 GRIN2B (0.38) PNMTADRA2AADRA2BADRA2CALDH1A1
SCHEMBL8035992 0.73 PNMT (0.45) PNMTADRA2AADRA2BADRA2CALDH1A1
SCHEMBL16650443 0.73 PNMT (0.46) PNMTADRA2AADRA2BADRA2CALDH1A1
SCHEMBL8426665 0.71 PNMT (0.41) PNMTADRA2AADRA2BADRA2CALDH1A1
SCHEMBL4672232 0.70 SIRT2 (0.44) PNMTADRA2AALDH1A1SMN1; SMN2GRIN2B
SCHEMBL4673771 0.70 GRIN2B (0.41) PNMTADRA2AGRIN2BMEN1KMT2A

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
US-5925662-A OXIDASE INHIBITORS SYNTHELABO (FR) 1999-07-20 US disclosed