SCHEMBL1911399

SCHEMBL1911399

COCCCOc1cc(N(C(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C2CC2)ccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
USP30 Q70CQ3 3/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
SCN9A Q15858 1/20 0.38
SFRP1 Q8N474 2/20 0.38
ACKR3 P25106 1/20 0.36
LIPE Q05469 1/20 0.36
BCHE P06276 1/20 0.35
HTR6 P50406 1/20 0.35
REN P00797 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
GPR119 Q8TDV5 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
SCHEMBL10282964 0.89 USP30 (0.39) EPHX2USP30MEN1KMT2AALDH1A1
SCHEMBL1911384 0.87 MEN1 (0.46) USP30MEN1KMT2AALDH1A1MAPT
SCHEMBL8266020 0.80 TACR1 (0.44) USP30MEN1KMT2ASFRP1ACKR3
SCHEMBL89636 0.80 REN (0.44) EPHX2USP30MEN1KMT2AMAPT
SCHEMBL8235090 0.79 MAPT (0.39) EPHX2USP30MEN1KMT2AMAPT
SCHEMBL1911386 0.79 REN (0.56) REN
SCHEMBL89756 0.78 MEN1 (0.37) USP30MEN1KMT2ARENGPR119
SCHEMBL90536 0.77 PDE4B (0.40) EPHX2USP30MEN1KMT2AREN
SCHEMBL1911366 0.77 REN (0.42) MEN1KMT2AALDH1A1MAPTREN
SCHEMBL89909 0.77 PDE4B (0.36) EPHX2USP30MEN1KMT2ALIPE

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
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed