SCHEMBL4760997

SCHEMBL4760997

CCCCc1ccc2c(c1)C1(CCN(C(=O)OCc3ccccc3)CC1)CN2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CCR5 P51681 2/20 0.42
TMEM97 Q5BJF2 4/20 0.42
SIGMAR1 Q99720 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
USP2 O75604 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ENPP2 Q13822 1/20 0.41
ATXN2 Q99700 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
XIAP P98170 1/20 0.41
BIRC2 Q13490 1/20 0.41

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
SCHEMBL4979362 0.83 MEN1 (0.46) SCN5ASCN9AHDAC1HDAC8HDAC6
SCHEMBL3728320 0.83 XIAP (0.51) SCN5ASCN9AHDAC1HDAC8HDAC6
SCHEMBL6099116 0.83 SMN1; SMN2 (0.46) SCN5ASCN9AHDAC1HDAC8HDAC6
SCHEMBL6099121 0.83 SMN1; SMN2 (0.46) SCN5ASCN9AHDAC1HDAC8HDAC6
SCHEMBL15676882 0.83 HDAC1 (0.46) SCN5ASCN9AHDAC1HDAC8HDAC6
SCHEMBL4979370 0.83 MEN1 (0.46) SCN5ASCN9AHDAC1HDAC8HDAC6
SCHEMBL4884804 0.83 GRIN2B (0.45) SCN5ASCN9AHDAC1HDAC8HDAC6
SCHEMBL1196006 0.83 MEN1 (0.51) SCN5ASCN9AHDAC1HDAC8HDAC6
SCHEMBL1196005 0.83 MEN1 (0.51) SCN5ASCN9AHDAC1HDAC8HDAC6
Hydrochloric Acid SCHEMBL8582025 0.82 MEN1 (0.50) SCN5ASCN9AHDAC1HDAC8HDAC6

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-1899339-A1 1,2-DIHYDRO-SPIRO(3H-INDOLE-3-4 -PIPERIDINE) COMPOUNDS AS MODULATORS OF THE MAS RECEPTOR NOVEL Arena Pharmaceuticals, Inc. (US) 2008-03-19 EP disclosed
WO-2007002114-A1 1,2-DIHYDRO-SPIRO(3H-INDOLE-3-4’-PIPERIDINE) COMPOUNDS AS MODULATORS OF THE MAS RECEPTOR NOVEL ARENA PHARMACEUTICALS, INC. (US) 2007-01-04 WO disclosed