SCHEMBL14378397

SCHEMBL14378397

C[C@@H](NC(=O)c1cnc2cc(C(C)(C)C)ccc2c1)c1ccc(N)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.50
HPGDS O60760 8/20 0.48
PDE2A O00408 3/20 0.44
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
TRPV1 Q8NER1 1/20 0.40
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PHGDH O43175 1/20 0.39
ACACB O00763 1/20 0.38

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
SCHEMBL14377374 0.88 HPGDS (0.45) NR1H4HPGDSPDE2AMEN1LMNA
SCHEMBL1644658 0.85 NR1H4 (0.46) NR1H4HPGDSPDE2AMEN1LMNA
SCHEMBL1285415 0.85 NR1H4 (0.46) NR1H4HPGDSLMNAPHGDH
SCHEMBL1644700 0.80 HPGDS (0.42) NR1H4HPGDSPDE2AMEN1LMNA
SCHEMBL1645222 0.80 HPGDS (0.43) NR1H4HPGDSPDE2AMEN1LMNA
SCHEMBL1284733 0.80 TRPV1 (0.42) NR1H4HPGDSPDE2ATRPV1
SCHEMBL1285312 0.79 HPGDS (0.43) NR1H4HPGDSTRPV1
SCHEMBL14377430 0.79 HPGDS (0.44) HPGDSPDE2A
SCHEMBL264499 0.76 HPGDS (0.44) HPGDSMEN1LMNAMAPK1KMT2A
SCHEMBL14377396 0.76 HPGDS (0.48) HPGDSPDE2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 WO disclosed