SCHEMBL6850159

SCHEMBL6850159

COC(=O)c1ccc(C(N2CCCC2)n2c(=O)c3cc(C)ccc3n3cnnc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MITF O75030 1/20 0.33
KMT2A Q03164 1/20 0.33
OPRD1 P41143 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
P2RX7 Q99572 1/20 0.33
TP53 P04637 1/20 0.32
EPHX2 P34913 1/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 3/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL6854445 0.90 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3SMN1; SMN2KMT2A
SCHEMBL6854194 0.85 APEX1 (0.36) MAPTKDM4ESMN1; SMN2KMT2ATP53
SCHEMBL6849986 0.77 APEX1 (0.35) MAPTKDM4ESMN1; SMN2KMT2ALMNA
SCHEMBL7467998 0.74 MAPK8 (0.35) SMN1; SMN2KMT2AP2RX7LMNAALDH1A1
SCHEMBL6850179 0.74 ELANE (0.36) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6850073 0.73 TRPV1 (0.36) SLC6A3SMN1; SMN2ALDH1A1
SCHEMBL6855901 0.73 USP14 (0.38) SMN1; SMN2
SCHEMBL6854985 0.72 PIK3R1 (0.34)
SCHEMBL6855259 0.72 USP14 (0.35)
SCHEMBL6854989 0.71 PIK3R1 (0.33) LMNAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828315-B1 Anti- inflammatories, anti-allergics, bronchodilatators, anti-asthmatics, or TNF alpha inhibitors WARNER-LAMBERT LLC 2004-12-07 US claimed
EP-1177195-B1 1-AMINO TRIAZOLO 4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER LAMBERT CO (US) 2003-03-19 EP claimed
JP-2002543199-A 2002-12-17 JP claimed
EP-1177195-A1 1-AMINO TRIAZOLO 4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER-LAMBERT COMPANY (US) 2002-02-06 EP claimed
WO-2000066584-A1 1-AMINO TRIAZOLO¢4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER-LAMBERT COMPANY (US) 2000-11-09 WO claimed
EP-1177195-B1 1-AMINO TRIAZOLO 4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER LAMBERT CO (US) 2003-03-19 EP disclosed
EP-1177195-A1 1-AMINO TRIAZOLO 4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER-LAMBERT COMPANY (US) 2002-02-06 EP disclosed
WO-2000066584-A1 1-AMINO TRIAZOLO¢4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER-LAMBERT COMPANY (US) 2000-11-09 WO disclosed