SCHEMBL6633491

SCHEMBL6633491

CC(C)(C)OC(=O)N1Cc2ccc(NC(=O)NC3CCCCC3)cc2N(Cc2c[nH]cn2)CC1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.43
FNTA P49354 5/20 0.40
FNTB P49356 5/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
NPY1R P25929 1/20 0.37
ACKR3 P25106 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
ALOX5 P09917 1/20 0.35
EPHX2 P34913 1/20 0.35
HDAC1 Q13547 1/20 0.35
EPHX1 P07099 1/20 0.35
TRPV1 Q8NER1 2/20 0.35
CCR3 P51677 1/20 0.34

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
SCHEMBL6632164 0.91 NPC1 (0.39) FNTAFNTBNR1H2NR1H3HDAC1
SCHEMBL3499254 0.90 FNTA (0.43) FNTAFNTBKDM4EALDH1A1MAPT
SCHEMBL6676544 0.83 FNTA (0.43) FNTAFNTBNR1H2NR1H3HDAC1
SCHEMBL3502090 0.82 FNTA (0.48) FNTAFNTBKDM4EALDH1A1HPGD
SCHEMBL3501091 0.82 FNTA (0.42) FNTAFNTBKDM4EALDH1A1HPGD
SCHEMBL6680604 0.81 FNTA (0.41) FNTAFNTBALDH1A1MAPTNR1H2
SCHEMBL6615703 0.80 FNTA (0.42) FNTAFNTBNR1H2NR1H3HDAC1
SCHEMBL6634998 0.77 FNTA (0.61) FNTAFNTBNR1H2NR1H3
SCHEMBL7685900 0.77 FNTA (0.61) FNTAFNTBNR1H2NR1H3
SCHEMBL3501016 0.77 FNTA (0.46) FNTAFNTB

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
EP-1481975-A1 Inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-01 EP claimed
US-6455523-B1 ADMINISTERING 1,4-BENZODIAZEPINE DERIVATIVE AS ANTITUMOR OR ANTICARCINOGENIC AGENT BRISTOL-MYERS SQUIBB COMPANY 2002-09-24 US claimed
EP-1481975-A1 Inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-01 EP disclosed
US-6011029-A BENZODIAZEPINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-01-04 US disclosed