SCHEMBL6615845

SCHEMBL6615845

BS(C)(C)C1CNCc2ccc([N+](=O)[O-])cc2N1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PNMT P11086 10/20 0.48
ADRA2A P08913 8/20 0.48
ADRA2B P18089 3/20 0.45
ADRA2C P18825 3/20 0.45

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
SCHEMBL6636013 0.72 PNMT (0.62) PNMTADRA2AADRA2BADRA2C
Methylsulfanylmethane SCHEMBL6615849 0.70 PNMT (0.56) PNMTADRA2AADRA2BADRA2C
SCHEMBL27769158 0.69 PNMT (0.50) PNMTADRA2AADRA2BADRA2C
SCHEMBL383577 0.67 PNMT (0.74) PNMTADRA2AADRA2BADRA2C
SCHEMBL29728441 0.67 CHRNA7 (0.60) PNMTADRA2AADRA2BADRA2C
SCHEMBL8607960 0.67 CHRNA7 (0.60) PNMTADRA2AADRA2BADRA2C
SCHEMBL9277382 0.67 PNMT (0.51) PNMTADRA2AADRA2BADRA2C
SCHEMBL654053 0.67 PNMT (0.50) PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL1786988 0.66 PNMT (0.72) PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL19281510 0.66 CHRNA7 (0.59) PNMTADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0892797-A4 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2004-10-20 EP disclosed
EP-0892797-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-01-27 EP disclosed
WO-1997030992-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1997-08-28 WO disclosed