SCHEMBL3723554

SCHEMBL3723554

C[C@@]1(N)CCCCN1C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
FKBP1A P62942 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL28216747 0.86 MEN1 (0.48) SMN1; SMN2MEN1KMT2ANPSR1FKBP1A
SCHEMBL3787663 0.86 SMN1; SMN2 (0.45) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL31336435 0.85 CYP2C19 (0.44) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL630719 0.84 MEN1 (0.46) SMN1; SMN2MEN1KMT2ANPSR1FKBP1A
SCHEMBL13156117 0.83 MEN1 (0.45) SMN1; SMN2MEN1KMT2ANPSR1FKBP1A
SCHEMBL17171331 0.83
SCHEMBL31375608 0.83 SMN1; SMN2 (0.48) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL17157174 0.83
SCHEMBL13156116 0.83 MEN1 (0.45) SMN1; SMN2MEN1KMT2ANPSR1FKBP1A
SCHEMBL13156114 0.82 MEN1 (0.44) MEN1KMT2ANPSR1FKBP1A

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-2144630-A2 CHK1 INHIBITORS WITH B CELL DEPLETING ANTIBODIES FOR THE TREATMENT OF HEMATOLOGIC MALIGNANCIES AstraZeneca AB (SE) 2010-01-20 EP disclosed
WO-2008132500-A2 CHKL INHIBITORS WITH B CELL DEPLETING ANTIBODIES FOR THE TREATMENT OF HEMATOLOGIC MALIGNANCIES ASTRAZENECA AB (SE) 2008-11-06 WO disclosed