SCHEMBL4073984

SCHEMBL4073984

Cc1ccccc1CNC(=O)[CH]CC1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
GAA P10253 1/20 0.55
EPHX2 P34913 2/20 0.52
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 1/20 0.48
HPGD P15428 4/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
P2RX7 Q99572 2/20 0.45
HTT P42858 1/20 0.45
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.42

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
SCHEMBL4070760 0.80 RAB9A (0.64) KMT2AEPHX2ALDH1A1MEN1HPGD
SCHEMBL4067616 0.80 P2RX7 (0.54) KMT2AGAAALDH1A1HPGDNPC1
SCHEMBL4064577 0.74 KMT2A (0.64) KMT2AGAAALDH1A1MEN1HPGD
SCHEMBL5082541 0.73 KMT2A (0.67) KMT2AGAAALDH1A1MEN1HPGD
SCHEMBL4069435 0.73 EPHX2 (0.60) KMT2AGAAEPHX2MEN1HPGD
SCHEMBL5071517 0.72 P2RX7 (0.59) KMT2AGAAEPHX2ALDH1A1HPGD
SCHEMBL9113884 0.71 KMT2A (1.00) KMT2AGAAALDH1A1MEN1HPGD
SCHEMBL9113880 0.71 KMT2A (1.00) KMT2AGAAALDH1A1MEN1HPGD
Formic Acid SCHEMBL5085564 0.70 P2RX7 (0.54) KMT2AGAAEPHX2ALDH1A1HPGD
SCHEMBL24576210 0.70 ALDH1A1 (0.68) KMT2AGAAALDH1A1MEN1HPGD

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-1415986-B1 SPIRO ISOBENZOFURANES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS BANYU PHARMA CO LTD (JP) 2009-04-08 EP disclosed
US-7205417-B2 Spiro compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-04-17 US disclosed