SCHEMBL1728792

SCHEMBL1728792

COc1ccc2c(C(NC(=O)O)C3CCNCC3)nccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 8/20 0.42
ROCK1 Q13464 1/20 0.41
CDK2 P24941 1/20 0.41
HPGDS O60760 1/20 0.40
GSK3B P49841 1/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DYRK1A Q13627 1/20 0.38
MAPK7 Q13164 1/20 0.38

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
SCHEMBL2333984 0.82 AKT1 (0.45) AKT1CDK2
SCHEMBL1728966 0.73 MAOA (0.46) ALDH1A1TP53CYP1A2HPGDSMN1; SMN2
SCHEMBL1729837 0.70 SMYD3 (0.42) AKT1CDK2
SCHEMBL753230 0.68 LMNA (0.52) ALDH1A1CYP1A2HPGDSMN1; SMN2HSD17B10
SCHEMBL25873194 0.68 DYRK1A (0.48) ROCK1CDK2GSK3BALDH1A1CYP1A2
SCHEMBL27600626 0.68 AKT1 (0.41) AKT1CDK2
SCHEMBL3635634 0.67 PRKD1 (0.52) AKT1CDK2
SCHEMBL1728758 0.65 ADRB1 (0.40) AKT1CDK2
SCHEMBL1729058 0.65 F11 (0.45) AKT1CDK2MAPK10
SCHEMBL1730307 0.65 KDM4E (0.46) ALDH1A1HPGD

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-1633735-B1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI SA (FR) 2011-11-30 EP claimed