SCHEMBL8801083

SCHEMBL8801083

CN(C(=O)C(N)CS)C1N=C(c2ccccc2)c2cc(Cl)ccc2N(CC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)O)C1=O

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OXTR P30559 8/20 0.48
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 2/20 0.40
MCL1 Q07820 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.39
CCKBR P32239 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
HTR2B P41595 1/20 0.38
PDE4D Q08499 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
SCHEMBL8801536 0.95 OXTR (0.45) OXTRFNTAFNTBNPSR1MAPT
SCHEMBL8802707 0.92 OXTR (0.56) OXTRFNTAFNTBTP53CCKBR
SCHEMBL8800205 0.90 OXTR (0.51) OXTRFNTAFNTBNPSR1MAPT
SCHEMBL8800789 0.87 FNTA (0.51) OXTRFNTAFNTBTP53CCKBR
SCHEMBL8801631 0.86 FNTA (0.55) OXTRFNTAFNTBNPSR1MAPT
SCHEMBL8801396 0.86 FNTA (0.49) OXTRFNTAFNTBTP53CCKBR
SCHEMBL8801881 0.84 FNTA (0.43) OXTRFNTAFNTBNPSR1MAPT
SCHEMBL8672622 0.83 FNTA (0.39) OXTRFNTAFNTBCCKBRHTR2B
SCHEMBL8801804 0.82 FNTA (0.54) OXTRFNTAFNTBSMN1; SMN2TP53
SCHEMBL8801708 0.82 FNTA (0.49) FNTAFNTBNPSR1MAPTMCL1

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
WO-1994026723-A2 ras FARNESYL TRANSFERASE INHIBITORS GENENTECH, INC. (US) 1994-11-24 WO claimed
EP-0763537-A2 Non-peptidyl Ras farnesyl transferase inhibitors GENENTECH, INC. (US) 1997-03-19 EP disclosed
EP-0698015-A1 PREPARATION OF N-CYANODITHIOIMINO-CARBONATES AND 3-MERCAPTO-5-AMINO-1H-1,2,4-TRIAZOLE GENENTECH, INC. (US) 1996-02-28 EP disclosed
WO-1994026723-A2 ras FARNESYL TRANSFERASE INHIBITORS GENENTECH, INC. (US) 1994-11-24 WO disclosed