SCHEMBL7246202

SCHEMBL7246202

N#Cc1ccc2c(c1)C[C@@H](NCc1ccccc1)CN2

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.46
FYN P06241 1/20 0.46
GRIN2B Q13224 2/20 0.43
KDM1A O60341 2/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
VCP P55072 1/20 0.41
ABCB1 P08183 3/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL7246206 1.00 SLC6A4 (0.46) SLC6A4FYNGRIN2BKDM1AMAOA
SCHEMBL652946 0.76 HDAC8 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL650319 0.76 HDAC8 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL651669 0.76 HDAC8 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7246422 0.76 HDAC8 (0.46)
SCHEMBL5236147 0.76 DRD2 (0.47) SLC6A4FYNGRIN2BKDM1AMAOA
SCHEMBL3285406 0.74 CXCR1 (0.49)
SCHEMBL3285401 0.74 CXCR1 (0.49)
SCHEMBL649770 0.73 HDAC8 (0.44)
SCHEMBL5820197 0.73 HDAC8 (0.44)

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
US-6602883-B1 Inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY 2003-08-05 US disclosed
US-6387926-B1 ANTICANCER AGENTS BRISTOL-MYERS SQUIBB COMPANY 2002-05-14 US disclosed
EP-0994856-A4 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2000-12-06 EP disclosed
EP-0994856-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 2000-04-26 EP disclosed
WO-1999001434-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-01-14 WO disclosed