SCHEMBL7897488

SCHEMBL7897488

COCCCN1c2cc(Cl)ccc2CC1C1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.42
CNR1 P21554 2/20 0.40
CNR2 P34972 1/20 0.40
ANO1 Q5XXA6 2/20 0.40
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
AHCY P23526 1/20 0.36
PAK1 Q13153 1/20 0.36
KDM1A O60341 1/20 0.35
SCN9A Q15858 1/20 0.35

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
SCHEMBL7896607 0.83 HTR6 (0.41) USP30ANO1MEN1KMT2AALDH1A1
SCHEMBL7899660 0.80 USP30 (0.41) USP30CNR1CNR2ANO1MEN1
SCHEMBL7893412 0.79 ALOX5AP (0.39) USP30KDM1ASCN9A
SCHEMBL7898814 0.79 HTR6 (0.39) USP30MEN1KMT2AALDH1A1MAPT
SCHEMBL7902460 0.79 MEN1 (0.40) USP30MEN1KMT2AALDH1A1MAPT
SCHEMBL7898507 0.79 KAT7 (0.39) ANO1MEN1KMT2AALDH1A1MAPT
SCHEMBL7905938 0.78 ALOX5AP (0.37) USP30ANO1MEN1KMT2AALDH1A1
SCHEMBL7896805 0.77 HTR6 (0.46) USP30MEN1KMT2AALDH1A1MAPT
SCHEMBL7898501 0.75 ALOX5AP (0.36) MEN1KMT2AALDH1A1MAPTSCN9A
SCHEMBL7900007 0.74 USP30 (0.44) USP30KDM1A

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
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed