SCHEMBL8911748

SCHEMBL8911748

O=C(C1CC1)N(Cc1ccc2cc(-c3ccccc3-c3nnn[nH]3)ccc2c1)CC1(C(=O)O)CCCC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ABL1 P00519 5/20 0.32
FFAR4 Q5NUL3 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
CHRM5 P08912 1/20 0.31
POLB P06746 1/20 0.30
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30
KCNH2 Q12809 1/20 0.30
LMNA P02545 1/20 0.30
PKM P14618 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL8911298 0.98 NPSR1 (0.33) MEN1KMT2AFFAR4CHRM5POLB
SCHEMBL8910698 0.90 LTB4R2 (0.35) FFAR4SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL8912222 0.89 OPRM1 (0.35) PTGDR2SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL8486729 0.89 MEN1 (0.35) MEN1KMT2AABL1CHRM5LMNA
SCHEMBL8912399 0.89 FFAR4 (0.34) FFAR4
SCHEMBL8812028 0.89 MEN1 (0.33) MEN1KMT2AABL1FFAR4PTGDR2
SCHEMBL8482778 0.88 MEN1 (0.35) MEN1KMT2AABL1NPSR1LMNA
SCHEMBL9079958 0.87 TSHR (0.33) MEN1KMT2AABL1NPSR1LMNA
SCHEMBL8811839 0.87 NPSR1 (0.32) MEN1KMT2AFFAR4PTGDR2POLB
SCHEMBL8488367 0.86 AGTR1 (0.37) FFAR4PTGDR2PKM

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-5620998-A CARDIOVASCULAR DISORDERS; HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-04-15 US disclosed
US-5506240-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1996-04-09 US disclosed