SCHEMBL7375908

SCHEMBL7375908

O=[C]CCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 15/20 0.46
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
ENPP2 Q13822 1/20 0.35
NMBR P28336 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
SCHEMBL8125239 0.80 SIRT2 (0.49) SIRT2CYP11B1CYP11B2ENPP2NMBR
SCHEMBL4382643 0.80 SIRT2 (0.54) SIRT2CYP11B1CYP11B2ENPP2
SCHEMBL7159342 0.80 SIRT2 (0.49) SIRT2CYP11B1CYP11B2ENPP2NMBR
SCHEMBL1041048 0.80 SIRT2 (0.49) SIRT2CYP11B1CYP11B2ENPP2NMBR
SCHEMBL14993551 0.80 SIRT2 (0.49) SIRT2CYP11B1CYP11B2ENPP2NMBR
SCHEMBL2035093 0.80 SIRT2 (0.49) SIRT2CYP11B1CYP11B2ENPP2
SCHEMBL8794940 0.80 SIRT2 (0.49) SIRT2CYP11B1CYP11B2ENPP2NMBR
SCHEMBL7977095 0.80 SIRT2 (0.45) SIRT2CYP11B1CYP11B2ENPP2NMBR
SCHEMBL877785 0.79 SIRT2 (0.46) SIRT2CYP11B1CYP11B2NMBR
SCHEMBL1040511 0.79 SIRT2 (0.49) SIRT2CYP11B1CYP11B2ENPP2NMBR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5670497-A RETROVIRAL PROTEASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1997-09-23 US disclosed
US-5643878-A TREATMENT OF RETROVIRAL DISEASES LIKE AIDS CIBA-GEIGY CORPORATION (US) 1997-07-01 US disclosed
EP-0708760-A1 CYCLIC HYDRAZINE COMPOUNDS Novartis AG (CH) 1996-05-01 EP disclosed
WO-1995002582-A1 CYCLIC HYDRAZINE COMPOUNDS CIBA-GEIGY AG (CH) 1995-01-26 WO disclosed
EP-0618222-A2 Dipeptid derivatives of 5-amino-4-hydroxy-hexanoic acid CIBA-GEIGY AG (CH) 1994-10-05 EP disclosed