SCHEMBL2924005

SCHEMBL2924005

Cc1c(OC(=O)NCC2CCCCC2)cnn1-c1ccc(N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.41
CNR2 P34972 1/20 0.41
P2RX7 Q99572 1/20 0.39
EPHX1 P07099 1/20 0.38
EPHX2 P34913 1/20 0.38
KIT P10721 1/20 0.38
MAPK14 Q16539 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MMP13 P45452 1/20 0.37
RIPK1 Q13546 1/20 0.37
HPGD P15428 1/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL2918938 0.90 CNR1 (0.52) CNR1CNR2P2RX7NPC1RAB9A
SCHEMBL2926527 0.89 RIPK1 (0.47) CNR1CNR2P2RX7EPHX1MAPK14
SCHEMBL2926447 0.89 CTSL (0.46) CNR1CNR2EPHX2NPC1RAB9A
SCHEMBL2925470 0.82 P2RX7 (0.50) CNR1CNR2P2RX7KITMAPK14
SCHEMBL2925886 0.81 TSHR (0.43) EPHX1MAPK14NPC1HPGDKMT2A
SCHEMBL2926594 0.80 HPGD (0.42) P2RX7EPHX1NPC1RAB9AHPGD
SCHEMBL2925505 0.77 CNR1 (0.47) CNR1CNR2P2RX7MAPK14KMT2A
SCHEMBL2926823 0.75 CNR2 (0.45) CNR1CNR2P2RX7MAPK14RAB9A
SCHEMBL2927664 0.72 CTSL (0.58) CNR1CNR2P2RX7NPC1RAB9A
SCHEMBL2216452 0.71 MAPK14 (0.51) KITMAPK14CYP3A4CYP2C9

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-1615698-B1 NEW AMIDE DERIVATIVES AND PHARMACEUTICAL USE THEREOF HIGH POINT PHARMACEUTICALS LLC (US) 2010-09-29 EP claimed