SCHEMBL10552158

SCHEMBL10552158

N#CN1CCN(c2ccc(O)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
PKM P14618 1/20 0.52
DRD4 P21917 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 4/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ME2 P23368 4/20 0.41
ME1 P48163 4/20 0.41
ME3 Q16798 4/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GFER P55789 1/20 0.41
CA12 O43570 2/20 0.40
CA2 P00918 2/20 0.40

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
SCHEMBL7041242 0.82 MAPT (0.68) MAPTKDM4EALDH1A1PKMDRD4
SCHEMBL7781694 0.80 KDM4E (0.67) MAPTKDM4EALDH1A1PKMDRD4
SCHEMBL1462575 0.79 USP30 (0.51) MAPTKDM4EALDH1A1DRD4LMNA
SCHEMBL1280470 0.78 KDM4E (0.56) MAPTKDM4EALDH1A1LMNATP53
SCHEMBL7106841 0.76 KDM4E (0.61) MAPTKDM4EALDH1A1PKMDRD4
SCHEMBL6237643 0.76 CA2 (0.51) KDM4ETP53ME2ME1ME3
SCHEMBL28923884 0.75 MAPT (0.55) MAPTKDM4EALDH1A1PKMDRD4
SCHEMBL8931737 0.74 DRD4 (0.67) MAPTKDM4EALDH1A1PKMDRD4
SCHEMBL3043144 0.73 ALDH1A1 (0.57) MAPTKDM4EALDH1A1PKMDRD4
SCHEMBL657027 0.73 ALDH1A1 (0.57) MAPTKDM4EALDH1A1PKMDRD4

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
US-4833141-A FUNGICIDES HEUMANN PHARMA GMBH & CO. (DE) 1989-05-23 US disclosed
EP-0253166-A2 1,4-Piperazine derivatives, process for their preparation, their use and therapeutical agent containing them HEUMANN PHARMA GMBH & CO (DE) 1988-01-20 EP disclosed