SCHEMBL64035

SCHEMBL64035

CCOC(=O)C1C(c2cccc(-c3ccccc3)c2)CCN(C(=O)O)C1CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
RIPK1 Q13546 2/20 0.34
TSHR P16473 1/20 0.34
GRM5 P41594 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL65299 0.79 LTA4H (0.35) NPC1RAB9AL3MBTL1KDM4ETSHR
SCHEMBL65814 0.79 PPARG (0.39) NPC1RAB9ASMN1; SMN2L3MBTL1KDM4E
SCHEMBL66855 0.78 ELANE (0.38)
SCHEMBL65232 0.73 TMEM97 (0.37)
SCHEMBL66293 0.72 PPM1B (0.32)
SCHEMBL64034 0.71 CHRM5 (0.38) NPC1HPGDRAB9ASMN1; SMN2L3MBTL1
SCHEMBL4462269 0.70 RIPK1 (0.36) SLC6A2SLC6A4SLC6A3RIPK1
SCHEMBL15951884 0.70 RIPK1 (0.36) RIPK1
SCHEMBL65230 0.69 MAPT (0.33) NPC1L3MBTL1TSHR
SCHEMBL18586707 0.68 RIPK1 (0.33) KDM4ERIPK1

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-8129538-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-06 US disclosed