SCHEMBL24913997

SCHEMBL24913997

CN1CCC(Nc2cccc3c2CN(C(=O)c2c(O)cc(O)cc2OCc2ccccc2)CC3)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 3/20 0.42
SIGMAR1 Q99720 3/20 0.42
PTGDR2 Q9Y5Y4 5/20 0.38
KIT P10721 1/20 0.38
CHRNA7 P36544 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
NSD2 O96028 1/20 0.36
S1PR5 Q9H228 1/20 0.36
EHMT2 Q96KQ7 1/20 0.36
GPR183 P32249 1/20 0.36
SSTR4 P31391 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
LRRK2 Q5S007 1/20 0.35
CXCR3 P49682 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
SCHEMBL30155597 1.00 TMEM97 (0.42) TMEM97SIGMAR1PTGDR2KITCHRNA7
SCHEMBL24913998 0.96 TMEM97 (0.41) TMEM97SIGMAR1PTGDR2KITCHRNA7
SCHEMBL30155608 0.96 TMEM97 (0.41) TMEM97SIGMAR1PTGDR2KITCHRNA7
SCHEMBL30155850 0.94 NSD2 (0.40) TMEM97SIGMAR1PTGDR2NSD2ALDH1A1
SCHEMBL24914229 0.94 NSD2 (0.40) TMEM97SIGMAR1PTGDR2NSD2ALDH1A1
SCHEMBL24913940 0.94 TMEM97 (0.42) TMEM97SIGMAR1PTGDR2L3MBTL1S1PR5
SCHEMBL30155595 0.94 TMEM97 (0.42) TMEM97SIGMAR1PTGDR2L3MBTL1S1PR5
SCHEMBL24913938 0.91 TMEM97 (0.39) TMEM97SIGMAR1PTGDR2L3MBTL1S1PR5
SCHEMBL24913993 0.91 SPR (0.38) TMEM97SIGMAR1PTGDR2L3MBTL1NSD2
SCHEMBL24913991 0.91 SPR (0.38) TMEM97SIGMAR1PTGDR2L3MBTL1NSD2

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-2023002165-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2023-01-26 WO disclosed