SCHEMBL6467199

SCHEMBL6467199

CC(C)CCN(C(=O)O)C(=O)N(CCCc1ccccc1)C(=O)c1nc(C(=O)NCC(c2ccccc2)c2ccccc2)co1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 5/20 0.41
CES1 P23141 1/20 0.38
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
TBXA2R P21731 1/20 0.36
NAPEPLD Q6IQ20 1/20 0.36
HPGD P15428 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EPHX2 P34913 2/20 0.33
KDM4A O75164 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
SCHEMBL7567535 0.89 DAGLA (0.43) DAGLACES1LMNAPKMNAPEPLD
SCHEMBL6461813 0.84 P2RX7 (0.40) DAGLAEPHX2
SCHEMBL7558531 0.82 DAGLA (0.39) DAGLALMNAPKMTBXA2RNPC1
SCHEMBL6467926 0.80 DAGLA (0.44) DAGLACES1LMNAPKMHPGD
SCHEMBL7047979 0.78 TBXA2R (0.41) DAGLALMNATBXA2RHPGDSMN1; SMN2
SCHEMBL7044843 0.78 L3MBTL1 (0.39) DAGLALMNATBXA2RHPGDNPC1
SCHEMBL6461816 0.78 DAGLA (0.42) DAGLACES1NPC1RAB9AMAPK1
SCHEMBL7186571 0.77 MASP2 (0.38) DAGLALMNATBXA2RHPGDRAB9A
SCHEMBL6475520 0.74 DAGLA (0.50) DAGLACES1
SCHEMBL7049295 0.72 DAGLA (0.41) DAGLACES1

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
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed