SCHEMBL6616775

SCHEMBL6616775

O=C1N[C@H](Cc2ccccc2)C(=O)Nc2ccc(-c3ccccc3)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.51
MAOB P27338 4/20 0.51
MGAT2 Q10469 1/20 0.46
HDAC8 Q9BY41 2/20 0.43
GFER P55789 1/20 0.40
ROCK2 O75116 1/20 0.40
PGR P06401 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
USP2 O75604 1/20 0.39
LRRK2 Q5S007 1/20 0.39
RAF1 P04049 1/20 0.39
TYRO3 Q06418 1/20 0.38
NTRK2 Q16620 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
SCHEMBL8057111 0.92 ROCK2 (0.51) MAOAMAOBMGAT2HDAC8GFER
SCHEMBL6636475 0.92 ROCK2 (0.51) MAOAMAOBMGAT2HDAC8GFER
SCHEMBL1623847 0.88 ROCK2 (0.48) MGAT2ROCK2PGRMEN1KMT2A
SCHEMBL15293415 0.88 MGAT2 (0.43) MAOAMAOBMGAT2HDAC8ROCK2
SCHEMBL6634133 0.85 MGAT2 (0.41) MAOAMAOBMGAT2HDAC8GFER
SCHEMBL6617124 0.84 GABRA1 (0.46) MGAT2HDAC8GFERMAPTLRRK2
SCHEMBL6635223 0.84 CCKBR (0.47) MGAT2HDAC8PGRMEN1KMT2A
SCHEMBL6620939 0.84 CCKBR (0.47) MGAT2HDAC8PGRMEN1KMT2A
SCHEMBL6619605 0.84 GABRA1 (0.46) MGAT2HDAC8GFERMAPTLRRK2
SCHEMBL8871785 0.83 GFER (0.52) MGAT2HDAC8GFERKDM4EMEN1

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 6 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-6455523-B1 ADMINISTERING 1,4-BENZODIAZEPINE DERIVATIVE AS ANTITUMOR OR ANTICARCINOGENIC AGENT BRISTOL-MYERS SQUIBB COMPANY 2002-09-24 US 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