SCHEMBL6850073

SCHEMBL6850073

N#Cc1ccc(C(N2CCCC2)n2c(=O)c3cc(O)ccc3n3cnnc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.36
CYP19A1 P11511 12/20 0.35
ALDH1A1 P00352 1/20 0.33
ACHE P22303 1/20 0.33
TNKS O95271 1/20 0.32
PARP1 P09874 1/20 0.32
PARP15 Q460N3 1/20 0.32
PARP14 Q460N5 1/20 0.32
PARP10 Q53GL7 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
PARP11 Q9NR21 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
PARP4 Q9UKK3 1/20 0.32
PARP3 Q9Y6F1 1/20 0.32
SLC6A3 Q01959 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
SCN7A Q01118 1/20 0.30

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
SCHEMBL6855259 0.89 USP14 (0.35) CYP3A4CYP2D6CYP2C19
SCHEMBL6850132 0.89 USP14 (0.33) PARP15PARP14PARP10TNKS2PARP2
SCHEMBL6854985 0.89 PIK3R1 (0.34) CYP3A4CYP2D6CYP2C19
SCHEMBL6854989 0.88 PIK3R1 (0.33)
SCHEMBL6855901 0.86 USP14 (0.38) SMN1; SMN2
SCHEMBL6854445 0.73 SLC6A2 (0.35) SLC6A3SMN1; SMN2CYP2D6CYP2C19
SCHEMBL7002368 0.71 DHFR (0.31)
SCHEMBL6856311 0.71 SMN1; SMN2 (0.33) PARP15PARP14PARP10TNKS2PARP2
SCHEMBL6858343 0.70 USP14 (0.32) SMN1; SMN2
SCHEMBL6854433 0.70 PIK3R1 (0.36) CYP19A1SMN1; SMN2

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 6 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
US-6828315-B1 Anti- inflammatories, anti-allergics, bronchodilatators, anti-asthmatics, or TNF alpha inhibitors WARNER-LAMBERT LLC 2004-12-07 US disclosed
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