SCHEMBL16635849

SCHEMBL16635849

NC(=O)C1(F)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
CYP2C19 P33261 2/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
BLM P54132 1/20 0.33
CACNA2D1 P54289 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
SCHEMBL2845534 0.97
SCHEMBL18394706 0.92
SCHEMBL14783914 0.85
Formic Acid SCHEMBL31629964 0.76
SCHEMBL10872502 0.74 CYP2C19 (0.32) TSHRALDH1A1SMN1; SMN2LMNACYP2C19
SCHEMBL21230424 0.74 CYP2C19 (0.42) TSHRALDH1A1SMN1; SMN2LMNACYP2C19
SCHEMBL18618 0.74 CYP2C19 (0.42) TSHRALDH1A1SMN1; SMN2LMNACYP2C19
SCHEMBL18016471 0.74 KDM4E (0.48)
SCHEMBL28601810 0.72 CYP2C19 (0.31) CYP2C19
SCHEMBL15116571 0.72 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025043349-A1 PYRIMIDOPYRIDONE AND PTERIDONE DERIVATIVES AS INHIBITORS OF THE GCN2 KINASE, COMPOSITIONS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2025-03-06 WO claimed
WO-2015051479-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-04-16 WO claimed
WO-2025043349-A1 PYRIMIDOPYRIDONE AND PTERIDONE DERIVATIVES AS INHIBITORS OF THE GCN2 KINASE, COMPOSITIONS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2025-03-06 WO disclosed
EP-2802326-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-18 EP disclosed
EP-3054947-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-08-17 EP disclosed
WO-2015054038-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-04-16 WO disclosed