SCHEMBL21776649

SCHEMBL21776649

COC(=O)C1(F)CCNC1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
OPRM1 P35372 1/20 0.33
LMNA P02545 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
Hydrochloric Acid SCHEMBL31191063 0.98 NPSR1 (0.33) NPSR1KDM4EKMT2AOPRM1LMNA
SCHEMBL12699746 0.88 KDM4E (0.39) NPSR1KDM4EKMT2AOPRM1LMNA
Hydrochloric Acid SCHEMBL23727033 0.86 KDM4E (0.38) NPSR1KDM4EKMT2AOPRM1LMNA
Toluene SCHEMBL16684748 0.84 OPRM1 (0.42) KMT2AOPRM1
SCHEMBL14684197 0.83
Hydrochloric Acid SCHEMBL14677073 0.81 NPSR1 (0.33) NPSR1
SCHEMBL31449938 0.81 NPSR1 (0.36) NPSR1KDM4EKMT2AOPRM1
SCHEMBL31449928 0.81 NPSR1 (0.36) NPSR1KDM4EKMT2AOPRM1
Hydrochloric Acid SCHEMBL31449931 0.79 NPSR1 (0.35) NPSR1KDM4EKMT2AOPRM1
SCHEMBL2146308 0.79 DGAT1 (0.31)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024173514-A1 AMIDE AND ESTER-SUBSTITUTED IMIDAZOPYRIDINE COMPOUNDS IDEAYA BIOSCIENCES, INC. (US) 2024-08-22 WO disclosed
CN-105732636-B Heteroaromatic compounds and their use in medicine 广东东阳光药业有限公司 2020-04-21 CN disclosed
WO-2020043023-A1 FLUORINE SUBSTITUTED BENZIMIDAZOLE DERIVATIVE AND USE THEREOF 深圳市坤健创新药物研究院 2020-03-05 WO disclosed