SCHEMBL8340452

SCHEMBL8340452

CC(C)(C)OC(=O)N1CCC(OCC[C@H]2CCCCN2C(=O)OCc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 3/20 0.52
F2 P00734 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HTT P42858 1/20 0.45
STS P08842 1/20 0.44
KLK7 P49862 1/20 0.44
PRMT5 O14744 2/20 0.44
WDR77 Q9BQA1 1/20 0.44
PARP1 P09874 1/20 0.44
CYP2C19 P33261 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
FKBP1A P62942 1/20 0.43
GPR119 Q8TDV5 1/20 0.43

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
SCHEMBL8346225 1.00 PRSS1 (0.52) PRSS1F2SMN1; SMN2NPC1RAB9A
SCHEMBL8345500 0.85 PRSS1 (0.45) PRSS1F2PRMT5TMEM97SIGMAR1
SCHEMBL8342340 0.85 PRSS1 (0.45) PRSS1F2PRMT5TMEM97SIGMAR1
SCHEMBL14992654 0.85 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AHTTSTS
SCHEMBL3636928 0.84 PARP1 (0.46) KLK7PRMT5PARP1TMEM97SIGMAR1
SCHEMBL2961611 0.83 TMEM97 (0.50) SMN1; SMN2NPC1RAB9AHTTSTS
Hydrochloric Acid SCHEMBL8342347 0.82 PRSS1 (0.49) PRSS1F2KLK7TMEM97SIGMAR1
Hydrochloric Acid SCHEMBL8345629 0.82 PRSS1 (0.49) PRSS1F2KLK7TMEM97SIGMAR1
SCHEMBL27140910 0.82 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AHTTSTS
Hydrochloric Acid SCHEMBL8342349 0.82 PRSS1 (0.49) PRSS1F2KLK7TMEM97SIGMAR1

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
US-5917034-A Antithrombotic n-amidinopiperidine and benzamidine derivatives PFIZER INC. (US) 1999-06-29 US disclosed