SCHEMBL18487141

SCHEMBL18487141

O=C(NCC1CN(CCc2ccccc2)CCO1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.55
EPHX2 P34913 1/20 0.52
DRD4 P21917 3/20 0.49
CACNA1H O95180 1/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
GAA P10253 1/20 0.48
HSD17B10 Q99714 1/20 0.48
OPRD1 P41143 1/20 0.47
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
HTR2A P28223 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KCNH2 Q12809 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
SCHEMBL14425319 0.93 DRD4 (0.56) HPGDEPHX2DRD4CACNA1HALDH1A1
SCHEMBL5366013 0.93 DRD4 (0.56) HPGDEPHX2DRD4CACNA1HALDH1A1
SCHEMBL14425331 0.90 EPHX2 (0.47) HPGDEPHX2DRD4ALDH1A1KDM4E
SCHEMBL5365324 0.90 CCR3 (0.49) HPGDEPHX2DRD4CACNA1HALDH1A1
SCHEMBL14425334 0.88 NPC1L1 (0.45) HPGDEPHX2DRD4CACNA1HALDH1A1
SCHEMBL5366509 0.87 SMN1; SMN2 (0.58) HPGDEPHX2DRD4CACNA1HALDH1A1
SCHEMBL5368664 0.87 DRD4 (0.54) HPGDEPHX2DRD4CACNA1HALDH1A1
SCHEMBL5360176 0.87 HPGD (0.45) HPGDEPHX2DRD4CACNA1HALDH1A1
SCHEMBL5368583 0.87 EPHX2 (0.48) HPGDEPHX2DRD4CACNA1HALDH1A1
SCHEMBL5360946 0.86 EPHX2 (0.47) HPGDEPHX2DRD4CACNA1HALDH1A1

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-2168952-B1 MORPHOLINE DERIVATIVES AS RENIN INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2017-02-15 EP disclosed