SCHEMBL4447182

SCHEMBL4447182

O=C1N[C@@H](c2cccc(O)c2)CN1c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 2/20 0.39
LTA4H P09960 2/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
CTSG P08311 1/20 0.37
CMA1 P23946 1/20 0.37
PARP14 Q460N5 1/20 0.36
PARP10 Q53GL7 1/20 0.36
GRM2 Q14416 1/20 0.36
FFAR1 O14842 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
ERO1A Q96HE7 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
SCHEMBL4439090 0.84 SCN9A (0.42) LTA4HALDH1A1LMNAMAPTGRM2
SCHEMBL4439837 0.84 SCN9A (0.42) LTA4HALDH1A1LMNAMAPTGRM2
SCHEMBL4437663 0.84 SCN9A (0.42) LTA4HALDH1A1LMNAMAPTGRM2
SCHEMBL4434058 0.82 KCNH2 (0.45) GRM2NPC1RAB9AKMT2A
SCHEMBL8789320 0.79 GRM2 (0.43) ALDH1A1LMNAMAPTGRM2KMT2A
SCHEMBL4444305 0.77 KCNH2 (0.47) GRM2NPC1RAB9AKMT2A
SCHEMBL4439973 0.75 PBRM1 (0.44) ALDH1A1LMNAMAPTGRM2KMT2A
SCHEMBL3591132 0.75 PRKCZ (0.44) PRKCZLTA4HALDH1A1LMNATP53
SCHEMBL3591136 0.75 PRKCZ (0.44) PRKCZLTA4HALDH1A1LMNATP53
SCHEMBL4439829 0.73 ALDH1A1 (0.41) ALDH1A1LMNAMAPT

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
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP disclosed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO disclosed