SCHEMBL8808985

SCHEMBL8808985

O=C(O)OC1(CN(Cc2ccc3nc(-c4ccccc4-c4nnn[nH]4)ccc3c2)C(=O)C2CC2)CCCC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 2/20 0.32
TSHR P16473 2/20 0.31
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ABL1 P00519 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL8807638 0.99 MEN1 (0.33) MEN1KMT2ALMNATSHRPKM
SCHEMBL8807510 0.98 ALDH1A1 (0.32) MEN1KMT2ALMNATSHRALDH1A1
SCHEMBL8809941 0.91 LTB4R2 (0.32)
SCHEMBL8810064 0.91
SCHEMBL8808885 0.91 OPRM1 (0.33)
SCHEMBL8486729 0.90 MEN1 (0.35) MEN1KMT2ALMNATSHRPKM
SCHEMBL8482778 0.89 MEN1 (0.35) MEN1KMT2ALMNATSHRPKM
SCHEMBL8812028 0.89 MEN1 (0.33) MEN1KMT2ALMNATSHRABL1
SCHEMBL8808317 0.88
SCHEMBL8808240 0.88 USP2 (0.33) LMNAPKMALDH1A1

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
EP-0528762-B1 N-acyl-N-heterocyclyl- or naphthyl-alkyl amino acids as angiotensin II antagonists CIBA GEIGY AG (CH) 1997-05-07 EP claimed
EP-0528762-A1 N-acyl-N-heterocyclyl- or naphthyl-alkyl amino acids as angiotensin II antagonists CIBA-GEIGY AG (CH) 1993-02-24 EP claimed
EP-0528762-B1 N-acyl-N-heterocyclyl- or naphthyl-alkyl amino acids as angiotensin II antagonists CIBA GEIGY AG (CH) 1997-05-07 EP disclosed
EP-0528762-A1 N-acyl-N-heterocyclyl- or naphthyl-alkyl amino acids as angiotensin II antagonists CIBA-GEIGY AG (CH) 1993-02-24 EP disclosed