SCHEMBL3946744

SCHEMBL3946744

CN1CCN(NC(=O)Oc2[nH]c3ccc(N)cc3c2-c2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.41
HRH4 Q9H3N8 4/20 0.38
GSK3B P49841 1/20 0.38
ADK P55263 1/20 0.38
MAP2 P11137 2/20 0.37
BAZ2B Q9UIF8 1/20 0.37
DYRK1A Q13627 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 1/20 0.36
GFER P55789 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA12 O43570 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36

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
SCHEMBL3941920 0.85 MAPT (0.52) HRH4BAZ2BMEN1KMT2AALDH1A1
SCHEMBL4934224 0.82 CA1 (0.49) MAP2MEN1KMT2AALDH1A1KDM4E
SCHEMBL3947601 0.79 BRD4 (0.42) GSK3BADKMAP2DYRK1AMEN1
SCHEMBL3941693 0.78 BRD4 (0.49) MEN1KMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL3943641 0.78 LHCGR (0.44) GSK3BADKMAP2ALDH1A1KDM4E
SCHEMBL3951863 0.77 ALDH1A1 (0.43) GSK3BADKMEN1KMT2AALDH1A1
SCHEMBL3943442 0.76 ALDH1A1 (0.47) DYRK1AKMT2AALDH1A1KDM4EHPGD
SCHEMBL3951020 0.76 FAAH (0.50) ALDH1A1
SCHEMBL3951513 0.75 HTR2C (0.39) GSK3BADKDYRK1AMEN1KMT2A
SCHEMBL3942136 0.73 NPC1 (0.39) GSK3BADKMAP2MEN1KMT2A

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-1802572-B1 INDOL DERIVATIVES AS INHIBITORS OF SOLUBLE ADENYLYL CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-22 EP disclosed
EP-1802572-A1 INDOL DERIVATIVES AS INHIBITORS OF SOLUBLE ADENYLYL CYCLASE Bayer Schering Pharma Aktiengesellschaft (DE) 2007-07-04 EP disclosed
WO-2006032541-A1 INDOL DERIVATIVES AS INHIBITORS OF SOLUBLE ADENYLYL CYCLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-03-30 WO disclosed