SCHEMBL14397178

SCHEMBL14397178

N=NC1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.68
NPC1 O15118 2/20 0.68
RAB9A P51151 2/20 0.68
CYP2C19 P33261 1/20 0.65
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
GRIN2B Q13224 9/20 0.55
HTT P42858 1/20 0.55
CYP2D6 P10635 4/20 0.54
CYP2C9 P11712 4/20 0.54
CYP3A4 P08684 3/20 0.51
ENPP2 Q13822 1/20 0.50
FAAH O00519 1/20 0.47

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
SCHEMBL4851784 0.84 SMN1; SMN2 (0.74) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL3898493 0.84 SMN1; SMN2 (0.78) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL14992459 0.84 SMN1; SMN2 (0.78) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL2444559 0.84 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL458148 0.83 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL458805 0.83 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL11317877 0.83 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL13709084 0.83 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL2896415 0.82 SMN1; SMN2 (0.76) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL77639 0.82 SMN1; SMN2 (0.76) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007092936-A9 METHOD TO TREAT GASTRIC LESIONS UNIV VIRGINIA (US) 2007-10-18 WO disclosed
WO-2007092936-A2 METHOD TO TREAT GASTRIC LESIONS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2007-08-16 WO disclosed