SCHEMBL7697013

SCHEMBL7697013

CCOC(=O)C1=Cc2cc(I)ccc2OCC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
CLK1 P49759 1/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
ALPL P05186 1/20 0.39
CCR5 P51681 7/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
TP53 P04637 1/20 0.37
GLA P06280 1/20 0.37
ALOX5 P09917 2/20 0.36
SHMT2 P34897 1/20 0.36

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
SCHEMBL7382482 0.87 CA12 (0.47) NPC1RAB9ACLK1MAPTMEN1
SCHEMBL7388942 0.86 ALOX5 (0.43) NPC1RAB9ACLK1MAPTMEN1
SCHEMBL7382857 0.85 MAPT (0.43) NPC1RAB9ACLK1MAPTMEN1
SCHEMBL5209415 0.85 CCR2 (0.43) NPC1RAB9ACLK1MAPTMEN1
SCHEMBL7380758 0.85 CA12 (0.47) NPC1RAB9ACLK1MAPTMEN1
SCHEMBL5550241 0.84 ALDH1A1 (0.52) NPC1RAB9ACLK1MAPTMEN1
SCHEMBL7698975 0.83 CA12 (0.52) NPC1RAB9ACLK1MAPTMEN1
SCHEMBL7702964 0.83 NPC1 (0.42) NPC1RAB9ACLK1MAPTMEN1
SCHEMBL7702467 0.82 SMN1; SMN2 (0.45) NPC1RAB9ACLK1MAPTMEN1
SCHEMBL7675716 0.82 CCR5 (0.52) NPC1RAB9ACLK1MAPTALPL

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
US-6346527-B1 1-BENZOXEPIN DERIVATIVES USED IN THE PREVENTION OF SODIUM AND HYDROGEN ION EXCHANGE; CARDIOVASCULAR, KIDNEY AND BRAIN DISORDER TREATMENT; ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-12 US disclosed
EP-1073650-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-02-07 EP disclosed
WO-1999055690-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-04 WO disclosed