SCHEMBL16480413

SCHEMBL16480413

CNc1ccc(N2C(=O)CCC2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
ABL1 P00519 2/20 0.40
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
HRH3 Q9Y5N1 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
MITF O75030 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PARP1 P09874 1/20 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
SCHEMBL4636834 0.81 GAA (0.46) CCNA2CDK2CCNA1ABL1SLC6A2
SCHEMBL9891743 0.80 PTGER2 (0.36) ALDH1A1NPC1MITFGAAMAPT
SCHEMBL9892976 0.80 PTGER2 (0.41) SLC6A2SLC6A4SLC6A3ALDH1A1MEN1
SCHEMBL16480393 0.79 TDP1 (0.47) CCNA2CDK2CCNA1ABL1SLC6A2
SCHEMBL22658820 0.79 SLC6A2 (0.46) CCNA2CDK2CCNA1ABL1SLC6A2
SCHEMBL25416662 0.79 ALDH1A1 (0.42) CCNA2CDK2CCNA1ABL1SLC6A2
SCHEMBL30912507 0.79 ALDH1A1 (0.42) CCNA2CDK2CCNA1ABL1SLC6A2
SCHEMBL10131414 0.79 CYP3A4 (0.41) CCNA2CDK2CCNA1ABL1SLC6A2
SCHEMBL11112763 0.79 ESR1 (0.49) CCNA2CDK2CCNA1ABL1SLC6A2
SCHEMBL30912518 0.79 ALDH1A1 (0.42) CCNA2CDK2CCNA1ABL1SLC6A2

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
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed