SCHEMBL7682669

SCHEMBL7682669

COC(=O)Cn1nnnc1-c1c(Cl)c(Cl)cc2nc(OC)c(OC)nc12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.36
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPK1 P28482 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 2/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HSD11B1 P28845 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KAT2B Q92831 1/20 0.30
CYP1A2 P05177 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
SCHEMBL7678718 0.84 CYP1A2 (0.37) KMT2AALDH1A1HSD11B1CYP1A2
SCHEMBL7673287 0.81 RAB9A (0.49) RAB9ACYP1A2
SCHEMBL7681496 0.78 SMN1; SMN2 (0.43) CYP1A2
SCHEMBL7676242 0.74 GRIN1 (0.39)
SCHEMBL7676533 0.70 HRH4 (0.36)
SCHEMBL7824628 0.70 P2RX7 (0.33)
SCHEMBL27434416 0.69 CYP1A2 (0.35) KMT2AMAPTALDH1A1HSD11B1CYP1A2
SCHEMBL8947264 0.69 P2RX7 (0.49) TRPV1KDM4ENPC1MAPTALDH1A1
SCHEMBL8947317 0.68 ALDH1A1 (0.57) TRPV1KMT2AKDM4EMAPK1TSHR
SCHEMBL8947311 0.68 ALDH1A1 (0.57) TRPV1KDM4EMAPK1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376490-B1 STRONG N-METHYL-D-ASPARATE RECEPTOR ANTAGONISTS; USEFUL IN TREATING STROKES, ISCHEMIA, AND CENTRAL NERVOUS SYSTEM INJURIES PFIZER INC 2002-04-23 US disclosed
EP-0885212-B1 QUINOXALINEDIONES PFIZER RES AND BR DEV COMPANY (IE) 2001-11-14 EP disclosed
EP-0885212-A1 QUINOXALINEDIONES Pfizer Research and Development Company, N.V./S.A. (IE) 1998-12-23 EP disclosed
WO-1997032873-A1 QUINOXALINEDIONES PFIZER RESEARCH AND DEVELOPMENT COMPANY, N.V./S.A. (IE) 1997-09-12 WO disclosed