SCHEMBL8911298

SCHEMBL8911298

O=C(C1CCCC1)N(Cc1ccc2cc(-c3ccccc3-c3nnn[nH]3)ccc2c1)CC1(C(=O)O)CCCC1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.32
GYS1 P13807 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
CHRM5 P08912 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL8911748 0.98 MEN1 (0.34) NPSR1MEN1KMT2APOLBFFAR4
SCHEMBL8811839 0.89 NPSR1 (0.32) NPSR1MEN1KMT2APOLBGYS1
SCHEMBL9079958 0.89 TSHR (0.33) NPSR1MEN1KMT2ANR1H4ALDH1A1
SCHEMBL8910698 0.89 LTB4R2 (0.35) FFAR4
SCHEMBL8912399 0.88 FFAR4 (0.34) FFAR4
SCHEMBL8912222 0.87 OPRM1 (0.35)
SCHEMBL8812028 0.87 MEN1 (0.33) MEN1KMT2AGYS1FFAR4LMNA
SCHEMBL8486729 0.87 MEN1 (0.35) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL8482778 0.86 MEN1 (0.35) NPSR1MEN1KMT2AALDH1A1LMNA
SCHEMBL8488367 0.86 AGTR1 (0.37) FFAR4

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