SCHEMBL7357679

SCHEMBL7357679

CC1CC(CC(=O)OCc2ccccc2)CCN1C.NC1CC1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HTR2C P28335 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
CYP2C19 P33261 1/20 0.39
LTA4H P09960 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
FKBP1A P62942 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
ELANE P08246 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL8790348 0.85 ACE2 (0.39) GLAKDM4EHTR2CSMN1; SMN2CYP2C19
SCHEMBL7356483 0.83 ALDH1A1 (0.36) SMN1; SMN2CYP2C19FKBP1AHRH3ALDH1A1
SCHEMBL7359364 0.81 BRD4 (0.46) SMN1; SMN2LTA4HHRH3
SCHEMBL23838521 0.79 HTR2C (0.42) GLAHTR2CSMN1; SMN2NPC1RAB9A
SCHEMBL7362472 0.77 CHRM1 (0.45) KDM4EHTR2CSMN1; SMN2CYP2C19ALDH1A1
SCHEMBL10853040 0.76 ALDH1A1 (0.49) GLAHTR2CSMN1; SMN2CYP2C19NPC1
SCHEMBL8791466 0.76 GLA (0.51) GLAHTR2CCYP2C19ALDH1A1TSHR
SCHEMBL22193270 0.75 LTA4H (0.48) GLASMN1; SMN2CYP2C19LTA4HNPC1
SCHEMBL20428478 0.72 TSHR (0.48) GLAHTR2CSMN1; SMN2CYP2C19NPC1
SCHEMBL4143101 0.72 ALDH1A1 (0.59) GLASMN1; SMN2CYP2C19NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0800516-B1 FIBRINOGEN RECEPTOR ANTAGONISTS HAVING SUBSTITUTED (b)-AMINO ACID RESIDUES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME NIPPON STEEL CORP (JP) 2001-09-19 EP disclosed
EP-0800516-A1 FIBRINOGEN RECEPTOR ANTAGONISTS HAVING SUBSTITUTED (b)-AMINO ACID RESIDUES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME NIPPON STEEL CORPORATION (JP) 1997-10-15 EP disclosed
WO-1996020172-A1 FIBRINOGEN RECEPTOR ANTAGONISTS HAVING SUBSTITUTED β-AMINO ACID RESIDUES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME NIPPON STEEL CORPORATION (JP) 1996-07-04 WO disclosed