SCHEMBL7840611

SCHEMBL7840611

COC(=O)C1(Cc2cccc(CN)c2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.52
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
TACR1 P25103 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
NAMPT P43490 1/20 0.40
STS P08842 1/20 0.40
LMNA P02545 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
NR1H2 P55055 1/20 0.39

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
SCHEMBL7845532 0.90 MEN1 (0.52) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL7831653 0.88 PKM (0.53) PKMOPRD1OPRK1MEN1KMT2A
SCHEMBL1002715 0.87 PKM (0.55) PKMOPRD1OPRK1TACR1STS
SCHEMBL7830298 0.85 PKM (0.51) PKMOPRD1OPRK1ALDH1A1STS
SCHEMBL31603001 0.84 PKM (0.46) PKMOPRD1OPRK1MEN1KMT2A
SCHEMBL7838076 0.82 PKM (0.46) PKMMEN1KMT2ATACR1L3MBTL1
SCHEMBL31603137 0.81 PKM (0.48) PKMOPRD1OPRK1MEN1KMT2A
SCHEMBL31602934 0.81 PKM (0.48) PKMOPRD1OPRK1MEN1KMT2A
SCHEMBL2375967 0.81 PKM (0.56) PKMOPRD1OPRK1ALDH1A1TACR1
SCHEMBL7838073 0.80 PKM (0.45) PKMOPRD1OPRK1MEN1KMT2A

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-0944388-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-08-16 EP disclosed
US-6248756-B1 Inhibitors of farnesyl-protein transferase MERCK & CO., INC. 2001-06-19 US disclosed
EP-0944388-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-09-29 EP disclosed
US-5891889-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-04-06 US disclosed
WO-1997038665-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-23 WO disclosed