SCHEMBL31598413

SCHEMBL31598413

Cc1nc(C2C=CCN2C(=O)OC(C)(C)C)ccc1F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 3/20 0.36
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP2C19 P33261 1/20 0.35
GRM5 P41594 3/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
USP30 Q70CQ3 1/20 0.33
GPR119 Q8TDV5 2/20 0.33
MGLL Q99685 1/20 0.32
GRM1 Q13255 1/20 0.32
CYP3A5 P20815 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL30745353 0.85 TRPV3 (0.44) TRPV3NR1H2NR1H3GRM5MEN1
SCHEMBL31598282 0.81 HDAC1 (0.33) GRM5MEN1KMT2ALMNANPSR1
SCHEMBL31597791 0.79 LMNA (0.35) NR1H2NR1H3CYP3A4CYP1A2POLB
SCHEMBL31598162 0.78 IDH1 (0.42) NR1H2NR1H3MEN1KMT2AMGLL
SCHEMBL30745417 0.78 MEN1 (0.39) NR1H2NR1H3POLBGRM5MEN1
SCHEMBL29580612 0.78 MEN1 (0.39) POLBGRM5MEN1KMT2ALMNA
SCHEMBL30745407 0.77 USP30 (0.38) TRPV3CYP3A4USP30GPR119CYP3A5
SCHEMBL31413096 0.75 USP30 (0.46) NR1H2NR1H3CYP3A4CYP2C19GRM5
SCHEMBL17747329 0.75 TACR1 (0.41) POLBMEN1KMT2ANPSR1
SCHEMBL17747380 0.74 GPR119 (0.43) CYP3A4CYP1A2POLBCYP2C19MEN1

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
CN-111655695-B Substituted furopyrimidine compounds as PDE1 inhibitors 达特神经科学有限公司 2025-05-27 CN disclosed