SCHEMBL7057696

SCHEMBL7057696

Cc1c(OC(=O)Nc2ccc(N3CCN(CCO)CC3)c(C#N)c2)cnn1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 4/20 0.40
HPGD P15428 4/20 0.40
KMT2A Q03164 4/20 0.40
HSD17B10 Q99714 3/20 0.40
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
RXFP1 Q9HBX9 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DRD4 P21917 5/20 0.40
BCL2A1 Q16548 1/20 0.39
DRD2 P14416 2/20 0.38
DRD1 P21728 2/20 0.38
HTR2A P28223 2/20 0.38
DRD3 P35462 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL7057735 0.92 MAPT (0.41) MAPTALDH1A1MEN1HPGDKMT2A
SCHEMBL7057633 0.91 ALDH1A1 (0.42) MAPTALDH1A1MEN1HPGDKMT2A
SCHEMBL7059077 0.89 ALDH1A1 (0.41) MAPTALDH1A1MEN1HPGDKMT2A
SCHEMBL7056356 0.89 DRD4 (0.46) MAPTALDH1A1MEN1HPGDKMT2A
SCHEMBL7061032 0.88 DRD4 (0.41) MAPTALDH1A1MEN1HPGDKMT2A
SCHEMBL7114435 0.87 AR (0.43) MAPTALDH1A1MEN1HPGDKMT2A
SCHEMBL6052200 0.87 P2RY12 (0.45) MAPTALDH1A1MEN1HPGDKMT2A
SCHEMBL7058704 0.87 MAPT (0.39) MAPTALDH1A1MEN1HPGDKMT2A
SCHEMBL7059390 0.86 MAPT (0.39) MAPTALDH1A1MEN1HPGDKMT2A
SCHEMBL7051410 0.85 HTR2A (0.42) MAPTALDH1A1DRD4HTR2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1176140-B1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP claimed