SCHEMBL21780489

SCHEMBL21780489

COc1ccc(-c2ccc(C(F)(F)F)cc2)cc1C(=O)N1CCC(N)C1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.52
KDM1A O60341 7/20 0.51
KCNH2 Q12809 1/20 0.48
SCN9A Q15858 1/20 0.42
KIF11 P52732 1/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK7 Q13164 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.40
TRPC6 Q9Y210 1/20 0.40

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
SCHEMBL21780420 0.83 KMT2A (0.55) KDM1ASCN9ALMNATSHRGAA
SCHEMBL4247506 0.81 PDE2A (0.50) KDM1ALMNAGAAALDH1A1HTT
SCHEMBL3662685 0.81 PDE2A (0.50) KDM1ALMNAGAAALDH1A1HTT
SCHEMBL21780417 0.80 KCNH2 (0.49) KDM1AKCNH2SCN9ALMNATSHR
SCHEMBL21780440 0.78 LMNA (0.48) KCNH2SCN9ALMNATSHRGAA
SCHEMBL21780479 0.77 LMNA (0.47) KCNH2SCN9ALMNATSHRGAA
SCHEMBL21780474 0.77 GPR119 (0.51) KCNH2SCN9ALMNATSHRKMT2A
SCHEMBL21780441 0.77 LMNA (0.47) KCNH2SCN9ALMNATSHRGAA
SCHEMBL21780426 0.75 KMT2A (0.53) SCN9ALMNATSHRGAAALDH1A1
SCHEMBL5391552 0.75 GAA (0.66) MCHR1KDM1AKCNH2SCN9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3101013-B1 FUSED BENZOXAZEPINONES AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2020-10-21 EP disclosed
EP-3085696-B1 FUSED BENZOXAZEPINONES AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2020-03-04 EP disclosed