SCHEMBL7370753

SCHEMBL7370753

O=C(O)[C@H](O)COCCC1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
CYP2C19 P33261 1/20 0.54
GRIN2B Q13224 9/20 0.52
CYP2D6 P10635 4/20 0.51
CYP2C9 P11712 4/20 0.51
CHRM4 P08173 3/20 0.51
FAAH O00519 1/20 0.50
HTT P42858 1/20 0.49
CYP3A4 P08684 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 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
SCHEMBL7369584 1.00 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL7375294 1.00 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL7371089 0.94 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL7371086 0.94 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL7374872 0.89 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL10527890 0.89 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL10527161 0.84 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL7370226 0.84 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL10415505 0.83 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL10415506 0.83 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B

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
US-4882326-A HYPOTENSIVE AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-11-21 US disclosed
EP-0292923-A2 Piperidine compounds and pharmaceutical uses thereof Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1988-11-30 EP disclosed