SCHEMBL8052009

SCHEMBL8052009

O=C(c1cccc(OC(F)C(F)F)c1)N1CCN(Cc2c[nH]cn2)c2ccc(-c3ccccc3)cc2C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FNTA P49354 6/20 0.45
FNTB P49356 6/20 0.45
KDM4E B2RXH2 2/20 0.37
RECQL P46063 2/20 0.37
GRM5 P41594 4/20 0.36
DPP8 Q6V1X1 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SLC6A7 Q99884 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CACNA2D1 P54289 1/20 0.35
ABL1 P00519 3/20 0.35
BCR P11274 3/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 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
SCHEMBL3502028 0.90 FNTA (0.48) FNTAFNTBKDM4EGRM5MEN1
SCHEMBL3497891 0.89 FNTA (0.53) FNTAFNTBKDM4ERECQLMEN1
SCHEMBL3502156 0.89 FNTA (0.49) FNTAFNTBSLC6A7ABL1
SCHEMBL3502415 0.88 FNTA (0.47) FNTAFNTBKDM4ERECQLMEN1
SCHEMBL8052004 0.88 FNTA (0.45) FNTAFNTBKDM4EGRM5MEN1
Hydrochloric Acid SCHEMBL3523247 0.88 FNTA (0.47) FNTAFNTBKDM4ERECQLDPP8
SCHEMBL3502482 0.87 FNTA (0.52) FNTAFNTBKDM4EGRM5DPP8
SCHEMBL3501527 0.85 FNTA (0.49) FNTAFNTBDPP8SLC6A7LMNA
SCHEMBL3499833 0.85 FNTA (0.49) FNTAFNTBKDM4EGRM5MEN1
SCHEMBL3500627 0.84 FNTA (0.48) FNTAFNTBGRM5SLC6A7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6011029-A BENZODIAZEPINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-01-04 US disclosed