SCHEMBL4196153

SCHEMBL4196153

CC(C)(C)OC(=O)N1CCCC(N2Cc3cccc(NC(=O)c4cccc5ccccc45)c3C2=O)C1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
BACE1 P56817 1/20 0.49
KMT2A Q03164 3/20 0.48
POLB P06746 3/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 6/20 0.43
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
FPR2 P25090 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL27752231 0.87 SMN1; SMN2 (0.47) SMN1; SMN2KMT2APOLBMEN1MAPT
SCHEMBL4197579 0.78 HTR2A (0.48) POLBFPR2
SCHEMBL4031169 0.78 NR1I2 (0.50) SMN1; SMN2BACE1KMT2APOLBMEN1
SCHEMBL4198685 0.77 PARP1 (0.62) SMN1; SMN2KMT2APOLBMEN1MAPT
SCHEMBL834779 0.77 MEN1 (0.45) KMT2APOLBMEN1MAPTALDH1A1
SCHEMBL4190340 0.75 FPR2 (0.43) POLBMAPTALDH1A1FPR2
SCHEMBL834075 0.73 USP30 (0.47) SMN1; SMN2KMT2AMEN1MAPTALDH1A1
SCHEMBL1875466 0.72 PARP1 (0.59) SMN1; SMN2KMT2APOLBMEN1MAPT
SCHEMBL20986710 0.71 FPR2 (0.46) POLBFPR2
SCHEMBL20986860 0.71 FPR2 (0.46) POLBFPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029535-A1 ISOINDOLE DERIVATIVES USEFUL FOR TREATING PAIN, GASTROINTESTINAL DISEASES AND CANCER AstraZeneca AB (SE) 2009-03-04 EP disclosed
WO-2007139464-A1 ISOINDOLE DERIVATIVES USEFUL FOR TREATING PAIN, GASTROINTESTINAL DISEASES AND CANCER ASTRAZENECA AB (SE) 2007-12-06 WO disclosed
WO-2007139464-A1 ISOINDOLE DERIVATIVES USEFUL FOR TREATING PAIN, GASTROINTESTINAL DISEASES AND CANCER ASTRAZENECA AB (SE) 2007-12-06 WO disclosed