SCHEMBL10569735

SCHEMBL10569735

CCOC(=O)c1cncn1C(C)c1c(F)cccc1F

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 7/20 0.68
GABRB2 P47870 6/20 0.68
CYP11B2 P19099 3/20 0.68
CYP1A2 P05177 3/20 0.68
CYP3A4 P08684 2/20 0.68
CYP11B1 P15538 2/20 0.68
LMNA P02545 1/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
ABCB11 O95342 1/20 0.68
GABRA2 P47869 1/20 0.68
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
GPBAR1 Q8TDU6 2/20 0.42
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37

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
Flutomidate SCHEMBL2109834 0.81 GABRA1 (0.77) GABRA1GABRB2CYP11B2CYP1A2CYP3A4
Flutomidate SCHEMBL20866543 0.81 GABRA1 (0.77) GABRA1GABRB2CYP11B2CYP1A2CYP3A4
Etomidate SCHEMBL39487 0.81 GABRA1 (1.00) GABRA1GABRB2CYP11B2CYP1A2CYP3A4
Amidate SCHEMBL1817757 0.81 GABRA1 (1.00) GABRA1GABRB2CYP11B2CYP1A2CYP3A4
Amidate SCHEMBL39485 0.81 GABRA1 (1.00) GABRA1GABRB2CYP11B2CYP1A2CYP3A4
S-Etomidate SCHEMBL39486 0.81 GABRA1 (1.00) GABRA1GABRB2CYP11B2CYP1A2CYP3A4
SCHEMBL9714477 0.81 ALDH1A1 (0.49) GABRA1GABRB2CYP11B2CYP1A2CYP3A4
Amidate SCHEMBL363786 0.80 GABRA1 (0.97) GABRA1GABRB2CYP11B2CYP1A2CYP3A4
Amidate SCHEMBL21773562 0.80 GABRA1 (0.97) GABRA1GABRB2CYP11B2CYP1A2CYP3A4
Amidate SCHEMBL668471 0.80 GABRA1 (0.97) GABRA1GABRB2CYP11B2CYP1A2CYP3A4

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-4851424-A 1-Phenyl-lower alkyl-imidazole 4- or 5-carboxamide compounds which are useful in the treatment of epilepsy CIBA-GEIGY CORPORATION (US) 1989-07-25 US disclosed