SCHEMBL20108345

SCHEMBL20108345

CC1(N=O)CN(Sc2ccc(Br)cc2)C1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.34
TSHR P16473 1/20 0.33
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL16025274 0.84 MEN1 (0.30)
SCHEMBL19903239 0.80 TSHR (0.37) HSD17B10TSHRMAOAMAOB
SCHEMBL19903241 0.77 TSHR (0.35) HSD17B10TSHRMAOAMAOB
SCHEMBL19903227 0.71 TSHR (0.33) HSD17B10TSHRMAOAMAOB
SCHEMBL19903375 0.69 NPSR1 (0.34) HSD17B10TSHR
SCHEMBL20108497 0.68 HSD11B1 (0.37) TSHRMAOAMAOB
SCHEMBL20311368 0.66 MAOB (0.38) MAOAMAOB
SCHEMBL19903214 0.66 HPGD (0.39) MAOAMAOB
SCHEMBL22643093 0.66 ALDH1A1 (0.47) HSD17B10TSHRMAOAMAOB
SCHEMBL19903237 0.65 HPGD (0.38) HSD17B10MAOAMAOB

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-2964635-B1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2018-05-02 EP disclosed