SCHEMBL8621479

SCHEMBL8621479

CCOC(=O)c1cnc(C(C)C2CCN(C(=O)OCc3ccccc3)CC2)s1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
GRIN2B Q13224 12/20 0.48
CYP2C19 P33261 1/20 0.47
CYP2D6 P10635 4/20 0.46
CYP2C9 P11712 4/20 0.46
CYP3A4 P08684 3/20 0.46
IDH1 O75874 1/20 0.46
LNPEP Q9UIQ6 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NOS2 P35228 1/20 0.44

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
SCHEMBL8626081 0.83 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL8626988 0.81 GRIN2B (0.52) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL8621606 0.80 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL12812360 0.77 HCRTR2 (0.51) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL10369008 0.77 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL14514898 0.76 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL16101853 0.75 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL12590837 0.75 ATM (0.52) SMN1; SMN2
SCHEMBL387622 0.74 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL3933949 0.74 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19

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-5817677-A ANTITHROMBOSIS AGENTS DR. KARL THOMAE GMBH (DE) 1998-10-06 US disclosed