SCHEMBL21238176

SCHEMBL21238176

CC#CCOC(=O)c1cnc(C(F)(F)F)n1[C@H](C)C(C)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 4/20 0.35
▸ GABRB2 P47870 4/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP11B1 P15538 2/20 0.35
▸ CYP11B2 P19099 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ ABCB11 O95342 1/20 0.35
▸ GABRA2 P47869 1/20 0.35
▸ MMP1 P03956 2/20 0.34
▸ MMP9 P14780 2/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP12 P39900 1/20 0.34
▸ ADAM17 P78536 4/20 0.33
▸ MMP13 P45452 1/20 0.32
▸ P2RX3 P56373 1/20 0.31
▸ P2RX2 Q9UBL9 1/20 0.31
▸ NR1H2 P55055 1/20 0.31

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
SCHEMBL22696978 0.90 GABRA1 (0.41) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
SCHEMBL22696915 0.78 GABRA1 (0.43) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
SCHEMBL24966049 0.69 GABRA1 (0.36) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
SCHEMBL22696979 0.69 GABRA1 (0.41) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
SCHEMBL22696652 0.69 GABRA1 (0.72) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
SCHEMBL22756022 0.69 GABRA1 (0.72) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
SCHEMBL24966010 0.68 BRD4 (0.43) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
SCHEMBL24966089 0.68 GABRA1 (0.43) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
SCHEMBL22696698 0.68 GABRA1 (0.43) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
SCHEMBL24967324 0.65 GABRA1 (0.38) 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
WO-2019149228-A1 SUBSTITUTED IMIDAZOLE FORMATE DERIVATIVE AND USE THEREOF 成都安诺晨创医药科技有限公司 2019-08-08 — — WO disclosed
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