SCHEMBL8993970

SCHEMBL8993970

CC(C)(C)OC(=O)N1CCC(CN)CC1.NCC1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
KDM4E B2RXH2 2/20 0.46
PKM P14618 1/20 0.46
RECQL P46063 1/20 0.45
EPHX1 P07099 1/20 0.45
NR1H2 P55055 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
GPR119 Q8TDV5 4/20 0.43
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FAAH O00519 1/20 0.42
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42

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
SCHEMBL103083 0.91 HPGD (0.54) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL8993968 0.90 EPHX1 (0.45) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL15000860 0.90 GNAI3 (0.51) HPGDKDM4EPKMRECQLEPHX1
Hydrochloric Acid SCHEMBL735395 0.90 HPGD (0.53) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL4038117 0.88 HPGD (0.49) HPGDKDM4EPKMRECQLEPHX1
Hydrochloric Acid SCHEMBL1532657 0.88 GNAI3 (0.53) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL1532854 0.87 ITGB3 (0.55) HPGDKDM4EPKMGPR119FAAH
SCHEMBL27124589 0.86 HPGD (0.47) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL17221591 0.85 HPGD (0.56) HPGDKDM4EPKMRECQLEPHX1
Acetic Acid SCHEMBL31129570 0.84 KDM4E (0.48) HPGDKDM4EPKMRECQLEPHX1

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-0725059-A1 2,3-DIAMINOPROPIONIC ACID DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-08-07 EP disclosed