SCHEMBL6615411

SCHEMBL6615411

CC(C)(C)OCC1CNc2ccc(Br)cc2CN1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PNMT P11086 11/20 0.45
ADRA2A P08913 4/20 0.45
ADRA2B P18089 3/20 0.45
ADRA2C P18825 3/20 0.45
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
BRD4 O60885 1/20 0.31

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
SCHEMBL6633380 0.79 MEN1 (0.56) PNMTADRA2AADRA2BADRA2CMEN1
SCHEMBL6615168 0.79 MEN1 (0.56) PNMTADRA2AADRA2BADRA2CMEN1
SCHEMBL6617818 0.75 TGM2 (0.35) MEN1KMT2A
SCHEMBL6618341 0.74 MEN1 (0.51) PNMTADRA2AADRA2BADRA2CMEN1
SCHEMBL6618053 0.74 MEN1 (0.68) PNMTADRA2AADRA2BADRA2CMEN1
SCHEMBL6616133 0.74 MEN1 (0.68) PNMTADRA2AADRA2BADRA2CMEN1
SCHEMBL6616447 0.72 MEN1 (0.51) PNMTADRA2AADRA2BADRA2CMEN1
SCHEMBL6615300 0.70 MEN1 (0.46) PNMTADRA2AADRA2BADRA2CMEN1
SCHEMBL6614938 0.69 MEN1 (0.51) PNMTADRA2AADRA2BADRA2CMEN1
SCHEMBL6640477 0.69 MEN1 (0.51) PNMTADRA2AADRA2BADRA2CMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481975-A1 Inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-01 EP disclosed
EP-0892797-A4 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2004-10-20 EP disclosed
US-6011029-A BENZODIAZEPINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-01-04 US 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