SCHEMBL29207299

SCHEMBL29207299

COC(=O)C1(F)CCCN(C)C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.49
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 4/20 0.35
SLC6A9 P48067 4/20 0.33
CYP2C19 P33261 3/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2C9 P11712 3/20 0.33
CYP2D6 P10635 2/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.32
OPRK1 P41145 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
KDM2B Q8NHM5 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
SCHEMBL31143147 0.79 SLC6A1 (0.43) USP2TSHRSLC6A9CYP2C19CYP3A4
Hydrochloric Acid SCHEMBL26962043 0.78 SLC6A1 (0.43) USP2TSHRSLC6A9CYP2C19CYP3A4
SCHEMBL10163092 0.76 USP2 (0.50) USP2NPSR1TSHRSLC6A9CYP2C19
SCHEMBL10163087 0.76 USP2 (0.50) USP2NPSR1TSHRSLC6A9CYP2C19
SCHEMBL1582491 0.76
SCHEMBL12581653 0.76 NPSR1 (0.50) NPSR1TSHRCYP3A4LMNAALDH1A1
SCHEMBL15939388 0.74 NPSR1 (0.48) NPSR1TSHRCYP3A4LMNAALDH1A1
SCHEMBL1441490 0.73 USP30 (0.46) USP2CYP2C9CYP2D6ALDH1A1CYP1A2
SCHEMBL21230450 0.72 USP2 (0.34) USP2TSHRCYP2C19CYP3A4CYP1A2
SCHEMBL22125252 0.71 USP2 (0.35) USP2NPSR1TSHRCYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4596551-A1 COMPOUNDS WITH ANTI-KRAS MUTANT TUMOR ACTIVITY Trasveda Ltd. (KY) 2025-08-06 EP disclosed
CN-117800975-A Compounds with anti-KRAS mutant tumor activity 泰励生物科技(上海)有限公司 2024-04-02 CN disclosed