SCHEMBL6850008

SCHEMBL6850008

Nc1ccc2c(c1)c(=O)n(Cc1ccccc1)c1nnc(N3CCCC3)n21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.47
HTT P42858 2/20 0.47
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PLK1 P53350 1/20 0.43
DHFR P00374 2/20 0.41
ADORA1 P30542 2/20 0.40
ADORA2B P29275 1/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PLA2G2A P14555 1/20 0.39

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
SCHEMBL6853806 0.99 L3MBTL1 (0.47) L3MBTL1ALDH1A1KDM4EHTTMAPT
SCHEMBL6854118 0.88 L3MBTL1 (0.56) L3MBTL1ALDH1A1KDM4EHTTMAPT
SCHEMBL6850068 0.88 L3MBTL1 (0.48) L3MBTL1ALDH1A1KDM4EHTTMAPT
SCHEMBL6854997 0.88 L3MBTL1 (0.48) L3MBTL1ALDH1A1KDM4EHTTMAPT
SCHEMBL6853858 0.88 L3MBTL1 (0.55) L3MBTL1ALDH1A1KDM4EHTTMAPT
SCHEMBL6855333 0.88 L3MBTL1 (0.55) L3MBTL1ALDH1A1KDM4EHTTMAPT
SCHEMBL6850125 0.88 L3MBTL1 (0.48) L3MBTL1ALDH1A1KDM4EHTTMAPT
SCHEMBL6850305 0.88 MAPT (0.55) L3MBTL1ALDH1A1KDM4EHTTMAPT
SCHEMBL6855251 0.87 MAPT (0.38) L3MBTL1ALDH1A1KDM4EHTTMAPT
SCHEMBL6850112 0.87 ALDH1A1 (0.60) L3MBTL1ALDH1A1KDM4EHTTMAPT

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 9 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-0939632-A4 NON-PEPTIDYL VASOPRESSIN V1a ANTAGONISTS LILLY CO ELI (US) 2002-09-25 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
EP-0939632-A1 NON-PEPTIDYL VASOPRESSIN V1a ANTAGONISTS ELI LILLY AND COMPANY (US) 1999-09-08 EP disclosed
WO-1997030707-A1 NON-PEPTIDYL VASOPRESSIN V1a ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-08-28 WO disclosed