SCHEMBL15577359

SCHEMBL15577359

CC1(C)C(=O)N(CCCOC2CC2)c2cc(NC(=O)c3ccncc3)ccc21.CC1(C)C(=O)N(CCCOC2CC2)c2cc(NC(=O)c3ccncc3F)ccc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRACR2A Q9BSW2 6/20 0.40
HTT P42858 1/20 0.37
STIM1 Q13586 2/20 0.36
ORAI1 Q96D31 2/20 0.36
TRPC1 P48995 1/20 0.36
TRPC3 Q13507 1/20 0.36
CPT2 P23786 1/20 0.35
CPT1A P50416 1/20 0.35
CPT1B Q92523 1/20 0.35
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
HTR1F P30939 1/20 0.35
CRHR1 P34998 1/20 0.35
CRHR2 Q13324 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
SCHEMBL15579179 0.96 CRACR2A (0.42) CRACR2ASTIM1ORAI1TRPC1TRPC3
SCHEMBL15577342 0.92 CPT2 (0.40) CPT2CPT1ACPT1B
SCHEMBL15577407 0.83 STIM1 (0.43) CRACR2ASTIM1ORAI1TRPC1TRPC3
SCHEMBL15606063 0.81 CRACR2A (0.41) CRACR2AHTTSTIM1ORAI1TRPC1
SCHEMBL15577332 0.81 STIM1 (0.44) CRACR2ASTIM1ORAI1TRPC1TRPC3
SCHEMBL15577347 0.80 CRHR1 (0.49) CRACR2ASTIM1ORAI1TRPC1TRPC3
SCHEMBL15577328 0.79 STIM1 (0.46) CRACR2AHTTSTIM1ORAI1TRPC1
SCHEMBL15577374 0.79 STIM1 (0.46) CRACR2AHTTSTIM1ORAI1TRPC1
SCHEMBL15577410 0.78 STIM1 (0.42) CRACR2ASTIM1ORAI1TRPC1TRPC3
SCHEMBL15577503 0.78 STIM1 (0.41) CRACR2ASTIM1ORAI1TRPC1TRPC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2895476-A1 2-OXO-2,3-DIHYDRO-INDOLES FOR THE TREATMENT OF CNS DISORDERS F. Hoffmann-La Roche AG (CH) 2015-07-22 EP claimed
WO-2014040969-A1 2-OXO-2,3-DIHYDRO-INDOLES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2014-03-20 WO claimed
EP-2895476-A1 2-OXO-2,3-DIHYDRO-INDOLES FOR THE TREATMENT OF CNS DISORDERS F. Hoffmann-La Roche AG (CH) 2015-07-22 EP disclosed
WO-2014040969-A1 2-OXO-2,3-DIHYDRO-INDOLES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2014-03-20 WO disclosed