SCHEMBL8345500

SCHEMBL8345500

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 3/20 0.45
F2 P00734 2/20 0.45
FKBP1A P62942 3/20 0.38
PDE4B Q07343 1/20 0.38
PRMT5 O14744 1/20 0.38
TMEM97 Q5BJF2 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
GFER P55789 1/20 0.38
CTSL P07711 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL8342340 1.00 PRSS1 (0.45) PRSS1F2FKBP1APDE4BPRMT5
SCHEMBL8340452 0.85 PRSS1 (0.52) PRSS1F2FKBP1APRMT5TMEM97
SCHEMBL8346225 0.85 PRSS1 (0.52) PRSS1F2FKBP1APRMT5TMEM97
SCHEMBL16755116 0.79 MEN1 (0.46) PDE4BTMEM97SIGMAR1CTSLNPSR1
SCHEMBL16755117 0.79 MEN1 (0.46) PDE4BTMEM97SIGMAR1CTSLNPSR1
SCHEMBL8344277 0.78 PRSS1 (0.44) PRSS1F2
SCHEMBL8345142 0.78 PRSS1 (0.44) PRSS1F2
SCHEMBL19410248 0.77 ALDH1A1 (0.48) CTSLNPSR1MEN1KMT2A
SCHEMBL8345660 0.76 PRSS1 (0.43) PRSS1F2MEN1KMT2A
SCHEMBL8345820 0.76 PRSS1 (0.54) PRSS1F2

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