SCHEMBL8905145

SCHEMBL8905145

CC(=O)N(OC1CCN(C(=O)OCc2ccccc2)CC1)C(Cc1ccc(N)cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
CYP2C19 P33261 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HTT P42858 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LNPEP Q9UIQ6 1/20 0.41
GRIN2B Q13224 8/20 0.41
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
ENPP2 Q13822 2/20 0.40
F13A1 P00488 1/20 0.39
TGM2 P21980 1/20 0.39
TGM1 P22735 1/20 0.39
CYP3A4 P08684 1/20 0.38
FOLH1 Q04609 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
SCHEMBL8904689 1.00 SMN1; SMN2 (0.48) SMN1; SMN2CYP2C19NPC1RAB9AHTT
SCHEMBL8904332 0.88 SMN1; SMN2 (0.44) SMN1; SMN2CYP2C19NPC1RAB9AHTT
SCHEMBL13198831 0.75 SMN1; SMN2 (0.63) SMN1; SMN2CYP2C19NPC1RAB9AHTT
SCHEMBL8645778 0.75 SMN1; SMN2 (0.58) SMN1; SMN2CYP2C19NPC1RAB9AHTT
SCHEMBL8904699 0.74 SMN1; SMN2 (0.51) SMN1; SMN2CYP2C19NPC1RAB9AHTT
SCHEMBL8904696 0.74 SMN1; SMN2 (0.51) SMN1; SMN2CYP2C19NPC1RAB9AHTT
SCHEMBL26560361 0.74 SMN1; SMN2 (0.54) SMN1; SMN2CYP2C19NPC1RAB9AHTT
SCHEMBL30981172 0.73 SMN1; SMN2 (0.57) SMN1; SMN2CYP2C19NPC1RAB9AHTT
SCHEMBL15747803 0.72 SMN1; SMN2 (0.64) SMN1; SMN2CYP2C19NPC1RAB9AHTT
SCHEMBL971318 0.71 SMN1; SMN2 (0.70) SMN1; SMN2CYP2C19NPC1RAB9AHTT

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
US-5635527-A ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES THE GREEN CROSS CORPORATION (JP) 1997-06-03 US disclosed