SCHEMBL19682978

SCHEMBL19682978

O=C(OCCl)C1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.75
NPC1 O15118 2/20 0.75
RAB9A P51151 2/20 0.75
CYP2C19 P33261 1/20 0.71
HTT P42858 1/20 0.60
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
ENPP2 Q13822 1/20 0.55
GRIN2B Q13224 9/20 0.54
CYP2D6 P10635 4/20 0.53
CYP2C9 P11712 4/20 0.53
CYP3A4 P08684 3/20 0.50
MAPT P10636 2/20 0.50
FAAH O00519 1/20 0.49

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
SCHEMBL630697 0.88 SMN1; SMN2 (0.73) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL485156 0.86 SMN1; SMN2 (0.75) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL2662865 0.86 SMN1; SMN2 (0.75) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL188053 0.86 SMN1; SMN2 (0.79) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL205216 0.86 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL10917691 0.86 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL10917695 0.86 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19
Hydrochloric Acid SCHEMBL3097843 0.85 SMN1; SMN2 (0.97) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL27168364 0.84 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL1507267 0.84 NPC1 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19HTT

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-2017210489-A1 COMPOUNDS M3 BIOTECHNOLOGY, INC. (US) 2017-12-07 WO disclosed