SCHEMBL6615078

SCHEMBL6615078

CC(C)(C)OC(=O)N1CCN(CCc2c[nH]cn2)c2ccccc2C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
FNTA P49354 3/20 0.42
FNTB P49356 3/20 0.42
LIPG Q9Y5X9 1/20 0.40
NAMPT P43490 4/20 0.40
ESR2 Q92731 1/20 0.38
P2RX3 P56373 2/20 0.38
NR1H2 P55055 1/20 0.38
MAPT P10636 1/20 0.37
SMARCA2 P51531 1/20 0.37
SMARCA4 P51532 1/20 0.37
PBRM1 Q86U86 1/20 0.37
POLB P06746 1/20 0.36
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36

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
SCHEMBL6616760 0.91 MAPK1 (0.47) MAPK1FNTAFNTBLIPGNAMPT
SCHEMBL5848536 0.81 MAPK1 (0.53) MAPK1LIPGNAMPTESR2NR1H2
SCHEMBL6618403 0.80 FNTA (0.47) MAPK1FNTAFNTBCKS1BSKP1
SCHEMBL3499873 0.77 FNTA (0.70) FNTAFNTB
SCHEMBL5848129 0.77 MAPK1 (0.53) MAPK1LIPGNAMPTESR2NR1H2
SCHEMBL5849071 0.76 MAPK1 (0.52) MAPK1LIPGNAMPTESR2NR1H2
SCHEMBL5848780 0.76 CACNA1G (0.61) MAPK1FNTAFNTBLIPGNAMPT
SCHEMBL5849947 0.76 MAPK1 (0.52) MAPK1LIPGNAMPTESR2NR1H2
SCHEMBL21505062 0.75 MAPK1 (0.59) MAPK1LIPGNAMPTESR2NR1H2
SCHEMBL5849968 0.73 MAPK1 (0.49) MAPK1LIPGNAMPTESR2NR1H2

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