SCHEMBL6941696

SCHEMBL6941696

NC(=O)CC12CC3CC(CC(C3)C1c1ccc(O)cc1Cl)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.40
HSP90AA1 P07900 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FAAH O00519 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
OPRL1 P41146 1/20 0.34
EPHX2 P34913 1/20 0.33
SCN9A Q15858 1/20 0.32

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
SCHEMBL6942683 0.86 ALDH1A1 (0.40) P2RX7HSP90AA1KDM4EMEN1ALDH1A1
SCHEMBL6945341 0.76 P2RX7 (0.34) P2RX7HSP90AA1KDM4EMEN1ALDH1A1
SCHEMBL6941692 0.72 STS (0.34) P2RX7MEN1KMT2AEPHX2
SCHEMBL6943637 0.71 P2RX7 (0.48) P2RX7MEN1ALDH1A1MAPTKMT2A
SCHEMBL7142000 0.67 SCN9A (0.51) HSD17B10SCN9A
SCHEMBL28144676 0.65 ALDH1A1 (0.39) MEN1ALDH1A1THRBHTTKMT2A
SCHEMBL7825363 0.65 HSD11B1 (0.49) P2RX7KDM4EALDH1A1GAAMAPT
Urea SCHEMBL28504047 0.65 DPP4 (0.43) HSD17B10
SCHEMBL28347088 0.65 HSP90AA1 (0.37) HSP90AA1MEN1GAAMAPTKMT2A
SCHEMBL11858437 0.64 ALDH1A1 (0.38) MEN1ALDH1A1HTTKMT2AEPHX2

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-1036058-B1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LTD (GB) 2003-03-12 EP claimed