SCHEMBL3638539

SCHEMBL3638539

CC(C)(C)[Si](C)(C)OCCC1CCCCN1C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.48
PREP P48147 3/20 0.47
FKBP1A P62942 3/20 0.46
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KLK7 P49862 1/20 0.43
KLK5 Q9Y337 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
SCHEMBL3637452 0.90 FKBP1A (0.48) ACE2PREPFKBP1ATMEM97SIGMAR1
SCHEMBL6475398 0.89 PREP (0.49) ACE2PREPNPSR1TSHRL3MBTL1
SCHEMBL6475389 0.89 PREP (0.49) ACE2PREPNPSR1TSHRL3MBTL1
SCHEMBL6484219 0.89 PREP (0.49) ACE2PREPNPSR1TSHRL3MBTL1
SCHEMBL3354292 0.84 PREP (0.54) ACE2PREPFKBP1ATMEM97SIGMAR1
SCHEMBL29560191 0.82 SMN1; SMN2 (0.45) PREPNPC1RAB9ASMN1; SMN2
SCHEMBL14646665 0.81 TMEM97 (0.56) ACE2PREPFKBP1ATMEM97SIGMAR1
SCHEMBL19621551 0.81 TMEM97 (0.56) ACE2PREPFKBP1ATMEM97SIGMAR1
SCHEMBL31153718 0.81 TSHR (0.46) ACE2PREPFKBP1ANPSR1SMN1; SMN2
SCHEMBL7598362 0.80 TMEM97 (0.51) ACE2PREPFKBP1ATMEM97SIGMAR1

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
EP-2155678-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC Neurosciences GmbH (DE) 2010-02-24 EP disclosed
WO-2008125570-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2008-10-23 WO disclosed