SCHEMBL6868645

SCHEMBL6868645

CCOC(=O)Oc1oc2cccc(OC3CCN(Cc4cccnc4)CC3)c2c1C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
MAPT P10636 1/20 0.43
NMT2 O60551 2/20 0.42
NMT1 P30419 2/20 0.42
KMT2A Q03164 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
SCN8A Q9UQD0 1/20 0.39

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
SCHEMBL3476964 0.86 NMT1 (0.57) NMT2NMT1KDM4E
SCHEMBL6870953 0.84 NMT2 (0.52) NMT2NMT1
SCHEMBL6863650 0.83 MAOA (0.44) PKMMAPTNMT2NMT1KMT2A
SCHEMBL6863212 0.82 NMT2 (0.42) NMT2NMT1DRD2DRD4DRD3
SCHEMBL6870905 0.74 MAOB (0.49) NMT2NMT1KMT2AKDM4EMAOB
SCHEMBL6874419 0.73 NMT2 (0.75) NMT2NMT1
SCHEMBL6868611 0.73 NMT2 (0.64) NMT2NMT1
SCHEMBL6873152 0.72 NMT2 (0.55) NMT2NMT1
SCHEMBL6871597 0.72 NMT2 (0.55) NMT2NMT1
SCHEMBL6863714 0.72 NMT2 (0.55) NMT2NMT1

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-1149094-B1 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2004-04-21 EP claimed