SCHEMBL14367676

SCHEMBL14367676

CC(C)Cc1ccc(N2CCCC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.47
PANK3 Q9H999 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 2/20 0.44
UBE2T Q9NPD8 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
ALOX12 P18054 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CNR2 P34972 5/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
KIT P10721 3/20 0.41
CACNA1H O95180 1/20 0.40
HRH3 Q9Y5N1 1/20 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
SCHEMBL8252773 0.98 AOC3 (0.48) AOC3PANK3MEN1KMT2AMAPT
SCHEMBL8245080 0.86 CYP11B1 (0.56) AOC3PANK3MEN1KMT2AMAPT
SCHEMBL5234572 0.81 PANK3 (0.55) AOC3PANK3MEN1KMT2AHRH3
SCHEMBL9908392 0.81 HRH3 (0.53) AOC3MAPTUBE2TALDH1A1LMNA
SCHEMBL2608886 0.80 AOC3 (0.42) AOC3MAPTUBE2TALDH1A1LMNA
SCHEMBL8429477 0.79 CYP1A2 (0.54) AOC3MAPTUBE2TALDH1A1LMNA
SCHEMBL345439 0.79 ENPP2 (0.45) AOC3PANK3MEN1KMT2AMAPT
SCHEMBL12601594 0.78 AOC3 (0.55) AOC3MAPTUBE2TALDH1A1LMNA
SCHEMBL3722859 0.78 RET (0.41) AOC3PANK3MEN1KMT2AUBE2T
SCHEMBL12217555 0.77 HRH3 (0.49) AOC3MAPTUBE2TALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2303270-B1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2017-05-17 EP disclosed
US-7300936-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-27 US disclosed