SCHEMBL8790348

SCHEMBL8790348

CC(N)[C]=O.CC1CC(CC(=O)OCc2ccccc2)CCN1C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 2/20 0.39
PREP P48147 2/20 0.39
HTR2C P28335 1/20 0.38
SLC15A1 P46059 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HRH3 Q9Y5N1 2/20 0.36
GLA P06280 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA5 P30532 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
GRIN2B Q13224 1/20 0.36

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
SCHEMBL7357679 0.85 GLA (0.40) HTR2CSMN1; SMN2CYP2C19NPC1RAB9A
SCHEMBL8790782 0.79 CHRM1 (0.47) ACE2PREPHTR2CSLC15A1SMN1; SMN2
SCHEMBL23838521 0.78 HTR2C (0.42) HTR2CSMN1; SMN2NPC1RAB9AHRH3
SCHEMBL7363294 0.75 SMN1; SMN2 (0.48) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL7363296 0.75 SMN1; SMN2 (0.48) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL10853040 0.75 ALDH1A1 (0.49) HTR2CSMN1; SMN2CYP2C19NPC1RAB9A
SCHEMBL22193270 0.74 LTA4H (0.48) SMN1; SMN2CYP2C19NPC1RAB9AGLA
SCHEMBL26327917 0.72 HRH3 (0.48) SMN1; SMN2CYP2C19NPC1RAB9AHRH3
SCHEMBL20428478 0.70 TSHR (0.48) HTR2CSMN1; SMN2CYP2C19NPC1RAB9A
SCHEMBL4143101 0.70 ALDH1A1 (0.59) SMN1; SMN2CYP2C19NPC1RAB9AGLA

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-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