SCHEMBL29337277

SCHEMBL29337277

Cc1ccc(F)c([C@@H](C)N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.44
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
HTT P42858 1/20 0.41
TRPA1 O75762 1/20 0.38
CHRM1 P11229 1/20 0.38
SLC6A2 P23975 1/20 0.38
ADRA1A P35348 1/20 0.38
HTR2B P41595 1/20 0.38
NFE2L2 Q16236 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
CYP3A4 P08684 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ACHE P22303 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
HTR2A P28223 2/20 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
SCHEMBL30608020 1.00 PDE2A (0.44) PDE2ALMNATP53HTTTRPA1
SCHEMBL10155650 1.00 PDE2A (0.44) PDE2ALMNATP53HTTTRPA1
SCHEMBL26345780 1.00 PDE2A (0.44) PDE2ALMNATP53HTTTRPA1
Hydrochloric Acid SCHEMBL29199836 0.98 PDE2A (0.43) PDE2ALMNATP53HTTTRPA1
Hydrochloric Acid SCHEMBL29199838 0.98 PDE2A (0.43) PDE2ALMNATP53HTTTRPA1
SCHEMBL20811584 0.83 PDE2A (0.58) PDE2ALMNATP53HTTTRPA1
SCHEMBL17767222 0.83 PDE2A (0.58) PDE2ALMNATP53HTTTRPA1
SCHEMBL17769044 0.83 PDE2A (0.58) PDE2ALMNATP53HTTTRPA1
SCHEMBL84060 0.82 TRPA1 (0.50) LMNATRPA1CHRM1SLC6A2ADRA1A
Hydrochloric Acid SCHEMBL20790467 0.81 PDE2A (0.56) PDE2ALMNATP53HTTTRPA1

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
EP-3365334-B1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMA CO LTD (JP) 2024-07-17 EP disclosed