SCHEMBL29945920

SCHEMBL29945920

COC(=O)c1cncn1C(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.58
GABRA1 P14867 7/20 0.43
GABRB2 P47870 6/20 0.43
CYP11B1 P15538 3/20 0.43
CYP11B2 P19099 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
LMNA P02545 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ABCB11 O95342 1/20 0.43
GABRA2 P47869 1/20 0.43
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
ATM Q13315 1/20 0.35
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL11387344 0.84 MAPK1 (0.64) MAPK1GABRA1GABRB2CYP11B1CYP11B2
SCHEMBL24934519 0.78 MAPK1 (0.57) MAPK1GABRA1GABRB2CYP11B1CYP11B2
SCHEMBL10563331 0.77 MAPK1 (0.50) MAPK1GABRA1GABRB2CYP11B1CYP11B2
SCHEMBL10390462 0.76 MAPK1 (0.75) MAPK1GABRA1GABRB2CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL29981865 0.76 MAPK1 (0.59) MAPK1GABRA1GABRB2CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL11334431 0.75 MAPK1 (0.78) MAPK1GABRA1GABRB2CYP11B1CYP11B2
Metomidate SCHEMBL4377172 0.75 MAPK1 (0.97) MAPK1GABRA1GABRB2CYP11B1CYP11B2
SCHEMBL21097972 0.75 MAPK1 (0.51) MAPK1GABRA1GABRB2CYP11B1CYP11B2
Metomidate SCHEMBL491910 0.75 MAPK1 (0.97) MAPK1GABRA1GABRB2CYP11B1CYP11B2
SCHEMBL22004285 0.74 MAPK1 (0.76) 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
WO-2022184849-A1 GLP-1R AGONISTS, USES AND PHARMACEUTICAL COMPOSITIONS THEREOF LES LABORATOIRES SERVIER (FR) 2022-09-09 WO disclosed