SCHEMBL29338249

SCHEMBL29338249

NCC(=O)N1CCc2ccc(Cl)cc2CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A15 Q9H2J7 3/20 0.54
FNTA P49354 1/20 0.54
FNTB P49356 1/20 0.54
ERCC1 P07992 1/20 0.47
ERCC4 Q92889 1/20 0.47
NOTUM Q6P988 2/20 0.44
MCHR1 Q99705 5/20 0.44
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
PTAFR P25105 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42

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
SCHEMBL11068898 0.79 NOTUM (0.59) SLC6A15FNTAFNTBNOTUMMCHR1
SCHEMBL29338248 0.78 MAPT (0.46) MEN1
SCHEMBL29338289 0.78 ESR1 (0.56) NOTUMSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL2585109 0.75 ESR1 (0.62) ERCC1ERCC4NOTUMHTR2AHTR2C
SCHEMBL6306088 0.75 MCHR1 (0.55) SLC6A15NOTUMMCHR1POLBHPGD
SCHEMBL29390456 0.74 ESR1 (0.50) ERCC1ERCC4NOTUMPOLBHPGD
SCHEMBL13623452 0.74 ESR1 (0.50) ERCC1ERCC4NOTUMPOLBHPGD
SCHEMBL5539399 0.74 ESR2 (0.54) ERCC1ERCC4NOTUMPOLBHPGD
SCHEMBL8221038 0.73 NOTUM (0.63) ERCC1ERCC4NOTUMMCHR1TAS1R3
SCHEMBL10920943 0.73 NOTUM (0.63) ERCC1ERCC4NOTUMMCHR1TAS1R3

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