SCHEMBL4002463

SCHEMBL4002463

O=C1NCCN1CC1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
GRIN2B Q13224 13/20 0.56
CYP2C19 P33261 1/20 0.56
CYP2D6 P10635 4/20 0.55
CYP2C9 P11712 4/20 0.55
CYP3A4 P08684 3/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
FAAH O00519 1/20 0.49
HTT P42858 1/20 0.48

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
SCHEMBL34466792 0.93 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL25202798 0.85 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL2858459 0.81 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL25305267 0.81 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL4203844 0.80 SMN1; SMN2 (0.70) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL29671511 0.79 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL25602786 0.79 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL15140566 0.79 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL458805 0.79 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL13661587 0.78 SMN1; SMN2 (0.64) 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
WO-2009078992-A1 LINEAR TRICYCLIC COMPOUNDS AS P38 KINASE INHIBITORS AMGEN INC. (US) 2009-06-25 WO disclosed