SCHEMBL22004285

SCHEMBL22004285

COC(=O)c1cncn1C(C)c1ccc(C)cc1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.76
GABRA1 P14867 7/20 0.61
GABRB2 P47870 6/20 0.61
CYP11B1 P15538 3/20 0.61
CYP11B2 P19099 3/20 0.61
CYP1A2 P05177 2/20 0.61
CYP3A4 P08684 2/20 0.61
LMNA P02545 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
ABCB11 O95342 1/20 0.61
GABRA2 P47869 1/20 0.61
TDP1 Q9NUW8 2/20 0.56
ALDH1A1 P00352 1/20 0.56
GPBAR1 Q8TDU6 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
CYP26A1 O43174 1/20 0.39

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
Iodometomidate I-123, R- SCHEMBL4870043 0.88 MAPK1 (0.74) MAPK1GABRA1GABRB2CYP11B1CYP11B2
Iodometomidate I-123, R- SCHEMBL4870040 0.88 MAPK1 (0.74) MAPK1GABRA1GABRB2CYP11B1CYP11B2
Metomidate SCHEMBL4377172 0.87 MAPK1 (0.97) MAPK1GABRA1GABRB2CYP11B1CYP11B2
Metomidate SCHEMBL491910 0.87 MAPK1 (0.97) MAPK1GABRA1GABRB2CYP11B1CYP11B2
Metomidate SCHEMBL1845324 0.86 MAPK1 (1.00) MAPK1GABRA1GABRB2CYP11B1CYP11B2
SCHEMBL5140230 0.85 MAPK1 (0.70) MAPK1GABRA1GABRB2CYP11B1CYP11B2
SCHEMBL5140228 0.85 MAPK1 (0.70) MAPK1GABRA1GABRB2CYP11B1CYP11B2
Metomidate SCHEMBL11733503 0.83 MAPK1 (0.88) MAPK1GABRA1GABRB2CYP11B1CYP11B2
SCHEMBL11492842 0.83 MAPK1 (0.67) MAPK1GABRA1GABRB2CYP11B1CYP11B2
SCHEMBL10623371 0.81 MAPK1 (0.51) MAPK1GABRA1GABRB2CYP11B1CYP11B2

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
EP-2900278-B1 RADIOPHARMACEUTICAL PRODUCTS FOR DIAGNOSIS AND THERAPY OF ADRENAL CARCINOMA UNIV WUERZBURG J MAXIMILIANS (DE) 2020-05-20 EP disclosed