SCHEMBL21780418

SCHEMBL21780418

CN1CCN2C(=O)c3cc(-c4ccc(C(F)(F)F)cc4)ccc3OCC2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.41
HTR2C P28335 4/20 0.41
HTR2B P41595 4/20 0.41
AXL P30530 1/20 0.41
HRH3 Q9Y5N1 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNH2 Q12809 2/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36
SCN9A Q15858 2/20 0.35
FPR2 P25090 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
KRAS P01116 1/20 0.35
SOS1 Q07889 1/20 0.35
CHKA P35790 1/20 0.35

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
SCHEMBL14480767 0.88 HRH3 (0.37) HTR2AHTR2CHTR2BAXLHRH3
SCHEMBL14480898 0.88 HRH3 (0.37) HTR2AHTR2CHTR2BAXLHRH3
SCHEMBL21780459 0.88 HRH3 (0.37) HTR2AHTR2CHTR2BAXLHRH3
SCHEMBL21780490 0.85 HRH3 (0.37) HTR2AHTR2CHTR2BAXLHRH3
SCHEMBL14480765 0.85 HRH3 (0.37) HTR2AHTR2CHTR2BAXLHRH3
SCHEMBL14480503 0.85 HRH3 (0.37) HTR2AHTR2CHTR2BAXLHRH3
SCHEMBL15105998 0.85 MCHR1 (0.38) HTR2AHTR2CHTR2BAXLKCNH2
SCHEMBL21780397 0.84 AR (0.43) HTR2AHTR2CHTR2BHRH3MEN1
SCHEMBL14480619 0.84 AR (0.43) HTR2AHTR2CHTR2BHRH3MEN1
SCHEMBL14481095 0.84 AR (0.43) HTR2AHTR2CHTR2BHRH3MEN1

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