SCHEMBL7521241

SCHEMBL7521241

C=CCC1(C(=O)O)CCCCN1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 2/20 0.51
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.40
PDCD1 Q15116 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CYP2D6 P10635 3/20 0.36
NPC1 O15118 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
RAB9A P51151 1/20 0.36
EPHX2 P34913 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL8524238 0.91 CD274 (0.46) CD274ALDH1A1MEN1KMT2ATSHR
SCHEMBL9015318 0.79
SCHEMBL9015320 0.79
SCHEMBL30067766 0.78 CYP2D6 (0.44) ALDH1A1MEN1KMT2ATSHRCYP2D6
SCHEMBL17274263 0.77 TSHR (0.36) CD274MEN1KMT2ATSHR
SCHEMBL7522381 0.73
SCHEMBL7522379 0.73
SCHEMBL7522377 0.73
SCHEMBL1762501 0.72 NPSR1 (0.40) CD274ALDH1A1MEN1KMT2APOLB
SCHEMBL1762504 0.72 NPSR1 (0.40) CD274ALDH1A1MEN1KMT2APOLB

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
EP-1137412-A4 SUBSTITUTED NITROGEN HETEROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF AMERICAN BIOGENETIC SCIENCES (US) 2002-04-03 EP disclosed
EP-1137412-A2 SUBSTITUTED NITROGEN HETEROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF AMERICAN BIOGENETIC SCIENCES, INC. (US) 2001-10-04 EP disclosed
WO-2000033788-A2 SUBSTITUTED NITROGEN HETEROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF AMERICAN BIOGENETIC SCIENCES INC. (US) 2000-06-15 WO disclosed