SCHEMBL7369892

SCHEMBL7369892

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
CYP2C19 P33261 1/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
GRIN2B Q13224 10/20 0.48
HTT P42858 1/20 0.48
CYP2D6 P10635 4/20 0.47
CYP2C9 P11712 4/20 0.47
CHRM4 P08173 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
FAAH O00519 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CYP3A4 P08684 3/20 0.45

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
SCHEMBL7374872 0.89 SMN1; SMN2 (0.52) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL10527890 0.89 SMN1; SMN2 (0.52) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
Hydrochloric Acid SCHEMBL7399417 0.84 SMN1; SMN2 (0.57) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL10527161 0.84 SMN1; SMN2 (0.51) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL7370226 0.84 SMN1; SMN2 (0.51) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL7371737 0.84 SMN1; SMN2 (0.47) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL10525007 0.84 SMN1; SMN2 (0.47) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL7371620 0.83 SMN1; SMN2 (0.51) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL7370753 0.82 SMN1; SMN2 (0.56) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL7369584 0.82 SMN1; SMN2 (0.56) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B

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