SCHEMBL4444360

SCHEMBL4444360

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
USP2 O75604 1/20 0.37
NTSR1 P30989 1/20 0.36
PARP14 Q460N5 1/20 0.36
PARP10 Q53GL7 1/20 0.36
GUSB P08236 1/20 0.36
SCN9A Q15858 1/20 0.35
CFTR P13569 1/20 0.35
PPARG P37231 3/20 0.35
GRM2 Q14416 1/20 0.35
MC4R P32245 1/20 0.34
ACACB O00763 1/20 0.34
MGLL Q99685 1/20 0.34

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
SCHEMBL4440072 0.88 LMNA (0.39) LMNAMAPTHTTKMT2AMEN1
SCHEMBL4447058 0.84 MAPT (0.36) LMNAMAPTHTTKMT2AMEN1
SCHEMBL4439837 0.84 SCN9A (0.42) LMNAMAPTHTTKMT2AMEN1
SCHEMBL4437663 0.84 SCN9A (0.42) LMNAMAPTHTTKMT2AMEN1
SCHEMBL4439090 0.84 SCN9A (0.42) LMNAMAPTHTTKMT2AMEN1
SCHEMBL4437635 0.84 LMNA (0.35) LMNAMAPTHTTKMT2AMEN1
SCHEMBL4435472 0.81 LMNA (0.38) LMNAMAPTHTTKMT2AMEN1
SCHEMBL4438948 0.81 LMNA (0.38) LMNAMAPTHTTKMT2AMEN1
SCHEMBL3585595 0.80 HTT (0.38) LMNAMAPTHTTKMT2AMEN1
SCHEMBL3585589 0.80 HTT (0.38) LMNAMAPTHTTKMT2AMEN1

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 claimed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO claimed