SCHEMBL6234711

SCHEMBL6234711

CCCN1CCCc2ccc(CN)cc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.68
MEN1 O00255 2/20 0.68
ALDH1A1 P00352 2/20 0.68
KDM4E B2RXH2 1/20 0.68
LMNA P02545 1/20 0.68
TP53 P04637 1/20 0.68
GAA P10253 1/20 0.68
MAPT P10636 1/20 0.68
CASP1 P29466 1/20 0.68
HTT P42858 1/20 0.68
CASP7 P55210 1/20 0.68
SMAD3 P84022 1/20 0.68
HSD17B10 Q99714 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
ACHE P22303 1/20 0.43
HRH3 Q9Y5N1 1/20 0.41
RORC P51449 9/20 0.41
RAD52 P43351 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
REN P00797 4/20 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
SCHEMBL6716483 0.83 KMT2A (0.52) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL16274465 0.82 KMT2A (0.60) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL6232018 0.79 KDM4E (0.55) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL5779207 0.77 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL10092656 0.77 MEN1 (0.57) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL31590791 0.76 ALDH1A1 (0.67) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL30945840 0.74 ALDH1A1 (0.97) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL6197333 0.74 ALDH1A1 (0.97) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL16274458 0.73 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL1076966 0.72 ALDH1A1 (0.59) KMT2AMEN1ALDH1A1KDM4ELMNA

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
WO-2004089903-A9 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER LAMBERT CO (US) 2005-10-27 WO disclosed