SCHEMBL7681550

SCHEMBL7681550

COc1nc2cc(Cl)c(Cl)c(-n3c(Br)nnc3-c3cccnc3)c2nc1OC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APLNR P35414 7/20 0.41
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CYP11B1 P15538 4/20 0.38
CYP11B2 P19099 4/20 0.38
CYP19A1 P11511 3/20 0.38
HTT P42858 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
CYP17A1 P05093 2/20 0.35
CYP3A4 P08684 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
SCHEMBL27502563 0.88 APLNR (0.43) APLNRALDH1A1HPGDCYP11B1CYP11B2
SCHEMBL6678132 0.86 OXTR (0.41) APLNRALDH1A1HPGDCYP11B1CYP11B2
SCHEMBL7678750 0.86 APLNR (0.39) APLNRALDH1A1HPGDCYP11B1CYP11B2
SCHEMBL7673869 0.84 ALDH1A1 (0.43) APLNRALDH1A1HPGDHTTMEN1
SCHEMBL7682650 0.84 APLNR (0.38) APLNRALDH1A1HPGDCYP11B1CYP11B2
SCHEMBL7676180 0.83 ACHE (0.40) APLNRALDH1A1HPGDHTTMEN1
SCHEMBL7673152 0.81 CYP11B2 (0.38) APLNRALDH1A1HPGDCYP11B1CYP11B2
SCHEMBL7676400 0.80 OXTR (0.41) APLNRALDH1A1HPGDHTTMEN1
SCHEMBL7674184 0.80 SLC2A1 (0.37) APLNRALDH1A1HTTMEN1KMT2A
SCHEMBL7676202 0.80 PTGES (0.33) MEN1KMT2A

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