SCHEMBL6233771

SCHEMBL6233771

CCCCCc1ccc(C(N)=O)c(N)c1C1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.36
CDC7 O00311 1/20 0.35
CNR2 P34972 1/20 0.35
TLR8 Q9NR97 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
CNR1 P21554 1/20 0.33
IKBKB O14920 1/20 0.33
CHUK O15111 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
SCHEMBL4560312 0.91 PARP1 (0.38) PARP1CDC7IKBKBCHUK
SCHEMBL28590450 0.74 MEN1 (0.42) TLR8KDM4EMEN1ALDH1A1GLA
SCHEMBL17786111 0.73 PARP1 (0.38) PARP1CDC7TLR8IKBKBCHUK
SCHEMBL7449857 0.72 PARP1 (0.38) PARP1TLR8CNR1
SCHEMBL27811001 0.72 BID (0.40) TLR8MEN1MAPTKMT2A
SCHEMBL17786119 0.70 IKBKB (0.47) PARP1CDC7IKBKBCHUK
SCHEMBL7158098 0.69 BID (0.51) TLR8KDM4EMEN1MAPTKMT2A
SCHEMBL2470964 0.68 CNR1 (0.39) CNR2MEN1MAPTHTTKMT2A
SCHEMBL29057838 0.68 PARP1 (0.38) PARP1MAPTHTT
SCHEMBL5808501 0.67 HTR2C (0.44) PARP1CDC7TLR8MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1049676-B1 4- ARYL(PIPERIDIN-4-YL)] AMINOBENZAMIDES WHICH BIND TO THE DELTA-OPIOID RECEPTOR ORTHO MCNEIL PHARM INC (US) 2005-10-12 EP disclosed
EP-1049676-A1 4- ARYL(PIPERIDIN-4-YL)] AMINOBENZAMIDES WHICH BIND TO THE DELTA-OPIOID RECEPTOR Ortho-Mcneil Pharmaceutical, Inc. (US) 2000-11-08 EP disclosed
WO-1999033806-A1 4-[ARYL(PIPERIDIN-4-YL)] AMINOBENZAMIDES WHICH BIND TO THE DELTA-OPIOID RECEPTOR ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 1999-07-08 WO disclosed