SCHEMBL7677420

SCHEMBL7677420

COc1nc2cc(Cl)c(Cl)c(-n3c(CO)nnc3-c3ccccc3)c2nc1OC

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.36
TLR8 Q9NR97 1/20 0.35
APLNR P35414 1/20 0.34
NR1I3 Q14994 1/20 0.33
SQOR Q9Y6N5 2/20 0.33
EGFR P00533 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
AVPR2 P30518 1/20 0.32
AVPR1A P37288 1/20 0.32
OXTR P30559 1/20 0.32
IKBKB O14920 1/20 0.32
RHEB Q15382 1/20 0.32

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
SCHEMBL27487153 0.88 GLA (0.37) GLAAPLNRNR1I3GABRA1GABRG2
SCHEMBL7681996 0.85 TLR8 (0.36) TLR8
SCHEMBL7682502 0.82 PDE2A (0.43) GABRA2
SCHEMBL6678132 0.80 OXTR (0.41) APLNRAVPR1AOXTR
SCHEMBL7676442 0.79 NR1I3 (0.41) APLNRNR1I3AVPR2AVPR1AOXTR
SCHEMBL27489462 0.77 APLNR (0.41) APLNR
SCHEMBL7682619 0.77 TLR8 (0.38) TLR8
SCHEMBL7674184 0.74 SLC2A1 (0.37) APLNR
SCHEMBL7676250 0.74 HRH4 (0.31)
SCHEMBL7681550 0.74 APLNR (0.41) APLNR

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