SCHEMBL29337271

SCHEMBL29337271

CC[C@@H](N)c1cc(OC)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.42
ADRA1A P35348 2/20 0.42
CYP2D6 P10635 2/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL6280754 0.85 ADRA2A (0.45) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL6280768 0.85 ADRA2A (0.45) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL18713176 0.82 ADRA2A (0.41) ADRA2AADRA1ACYP2D6CHRM2CHRM1
SCHEMBL20256745 0.82 ADRA2A (0.46) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL20738509 0.81 CYP2D6 (0.41) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL5663457 0.81 ADRA1A (0.60) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL19578674 0.81 CYP2D6 (0.41) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL2823287 0.80 CYP2D6 (0.53) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL20238552 0.80 CYP2D6 (0.53) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL3702003 0.80 CYP2D6 (0.53) ADRA2AADRA1ACYP2D6MEN1MAPK1

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