SCHEMBL7607461

SCHEMBL7607461

CCCC(C)CP(=O)(O)CC=Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.40
PAM P19021 1/20 0.38
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL6289214 0.74 HTR2A (0.59) HTR2APAMNPC1CYP3A4CYP2C9
SCHEMBL5057814 0.73 CYP1A2 (0.43) PAMLMNAALDH1A1CYP1A2CYP2C9
SCHEMBL5051113 0.73 GRM3 (0.56)
SCHEMBL13239620 0.72 PAM (0.47) HTR2APAMLMNAALDH1A1CYP1A2
SCHEMBL5611194 0.71 PAM (0.53) HTR2APAMLMNAALDH1A1CYP1A2
SCHEMBL5611191 0.71 PAM (0.53) HTR2APAMLMNAALDH1A1CYP1A2
SCHEMBL9975422 0.71 HTR2A (0.47) HTR2APAMTSHR
SCHEMBL4868906 0.71 GRIK1 (0.44)
SCHEMBL28995212 0.70 PAM (0.52) HTR2APAMLMNAALDH1A1CYP1A2
SCHEMBL28995211 0.70 PAM (0.52) HTR2APAMLMNAALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002514184-A 2002-05-14 JP claimed
EP-1005348-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 2000-06-07 EP claimed
WO-1998013046-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO claimed
EP-1005348-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 2000-06-07 EP disclosed
EP-0949922-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-10-20 EP disclosed
WO-1998013044-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO disclosed
WO-1998013046-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO disclosed