SCHEMBL21780433

SCHEMBL21780433

O=CN1CCOc2ccc(-c3ccc(C(F)(F)F)cc3)cc2C1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 11/20 0.48
PIK3CA P42336 6/20 0.48
MTOR P42345 1/20 0.39
KIF11 P52732 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
CYP2D6 P10635 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL31022106 0.79 HRH3 (0.46) KIF11HRH3
SCHEMBL16209103 0.79 HRH3 (0.46) KIF11HRH3
SCHEMBL14488592 0.75 BCHE (0.50) GPR142PIK3CA
SCHEMBL24258525 0.75 CREBBP (0.62) GPR142PIK3CACA12CA9
SCHEMBL14480862 0.72 GPR142 (0.55) GPR142PIK3CACYP2D6
SCHEMBL21802581 0.72 PIK3CA (0.61) GPR142PIK3CAMTOR
SCHEMBL7236157 0.72 ITGB2 (0.40)
SCHEMBL14552573 0.72 GPR142 (0.54) GPR142PIK3CACYP2D6
SCHEMBL14480790 0.71 GPR142 (0.68) GPR142PIK3CAMTOR
SCHEMBL21829049 0.71 GPR142 (0.54) GPR142PIK3CACYP2D6

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