SCHEMBL22756048

SCHEMBL22756048

CCC(CC)OC(=O)c1cncn1C(C)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 8/20 0.73
▸ GABRB2 P47870 6/20 0.73
▸ CYP1A2 P05177 2/20 0.73
▸ CYP3A4 P08684 2/20 0.73
▸ CYP11B1 P15538 2/20 0.73
▸ CYP11B2 P19099 2/20 0.73
▸ GABRA2 P47869 2/20 0.73
▸ LMNA P02545 1/20 0.73
▸ CYP2C9 P11712 1/20 0.73
▸ CYP2C19 P33261 1/20 0.73
▸ ABCB11 O95342 1/20 0.73
▸ MAPK1 P28482 1/20 0.69
▸ ALDH1A1 P00352 1/20 0.65
▸ TDP1 Q9NUW8 1/20 0.65
▸ GPBAR1 Q8TDU6 4/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA5 P31644 1/20 0.37
▸ GABRA3 P34903 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
SCHEMBL22696987 1.00 GABRA1 (0.73) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
SCHEMBL22755976 0.90 GABRA1 (0.70) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
SCHEMBL22696703 0.90 GABRA1 (0.70) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
SCHEMBL22756110 0.88 GABRA1 (0.67) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
SCHEMBL22696747 0.88 GABRA1 (0.67) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
SCHEMBL24967050 0.88 GABRA1 (0.63) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
SCHEMBL22696704 0.88 MAPK1 (0.70) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
SCHEMBL22756045 0.88 MAPK1 (0.70) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
SCHEMBL31406537 0.87 MAPK1 (0.76) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
SCHEMBL22259517 0.86 MAPK1 (0.70) GABRA1GABRB2CYP1A2CYP3A4CYP11B1

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-3747869-A1 SUBSTITUTED IMIDAZOLE FORMATE DERIVATIVE AND USE THEREOF CHENGDU MFS PHARMA. CO., LTD. (CN) 2020-12-09 — — EP disclosed
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