SCHEMBL7677312

SCHEMBL7677312

COCc1nnc(-c2cccnc2)n1-c1c(Cl)c(C)cc2nc(OC)c(OC)nc12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OXTR P30559 3/20 0.41
AVPR1A P37288 3/20 0.41
APLNR P35414 6/20 0.39
HTT P42858 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 2/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
VCP P55072 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL6678132 0.93 OXTR (0.41) OXTRAVPR1AAPLNRHTTMEN1
SCHEMBL7676400 0.89 OXTR (0.41) OXTRAVPR1AAPLNRHTTMEN1
SCHEMBL27541050 0.87 APLNR (0.41) OXTRAVPR1AAPLNRHTTMEN1
SCHEMBL7678750 0.83 APLNR (0.39) APLNRHTTMEN1KMT2AMAPK1
SCHEMBL27413983 0.82 APLNR (0.39) OXTRAVPR1AAPLNRMEN1KMT2A
SCHEMBL7682650 0.82 APLNR (0.38) APLNRHTTMEN1KMT2AMAPK1
SCHEMBL7681550 0.78 APLNR (0.41) APLNRHTTMEN1KMT2AMAPK1
SCHEMBL7674184 0.78 SLC2A1 (0.37) APLNRHTTMEN1KMT2AALDH1A1
SCHEMBL27489462 0.77 APLNR (0.41) APLNRHTTMEN1KMT2AMAPK1
SCHEMBL7682679 0.75 OXTR (0.39) OXTRAVPR1AAPLNRHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1103770-C Quinoxalinediones PFIZER RES AND DEV CO N V S A (IE) 2003-03-26 CN disclosed
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