SCHEMBL7675078

SCHEMBL7675078

COc1nc2cc(Cl)c(Cl)c(-c3nnnn3CCCO)c2nc1OC

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.36
TLR8 Q9NR97 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HSD11B1 P28845 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PDE4D Q08499 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 0.93 CYP1A2 (0.37) CYP1A2TLR8HRH4MEN1KMT2A
SCHEMBL7682669 0.82 TRPV1 (0.36) CYP1A2KMT2AHSD11B1ALDH1A1MAPT
SCHEMBL7673287 0.81 RAB9A (0.49) CYP1A2HRH4
SCHEMBL7681496 0.81 SMN1; SMN2 (0.43) CYP1A2HRH4
SCHEMBL27434416 0.79 CYP1A2 (0.35) CYP1A2MEN1KMT2AHSD11B1ALDH1A1
SCHEMBL7824628 0.77 P2RX7 (0.33) HRH4
SCHEMBL8784616 0.74 TLR8 (0.35) TLR8HRH4ALDH1A1
SCHEMBL7676533 0.73 HRH4 (0.36) HRH4
SCHEMBL7680475 0.71 HRH4 (0.36) HRH4
SCHEMBL8784365 0.68 HRH4 (0.34) HRH4ALDH1A1

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 2 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