SCHEMBL21761027

SCHEMBL21761027

CCOC(=O)C1(c2nn3cc(C)nc3s2)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.39
OPRD1 P41143 3/20 0.39
OPRK1 P41145 3/20 0.39
SLC22A1 O15245 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
KCNH2 Q12809 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
MAPK1 P28482 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
SCHEMBL23585476 0.89 OPRM1 (0.36) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL21760842 0.81 LMNA (0.33) MEN1KMT2AMAPT
SCHEMBL696381 0.73 MEN1 (0.43) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL21760985 0.72 MAPT (0.64) MEN1KMT2AMAPTPKMHTT
SCHEMBL21760987 0.72 ALDH1A1 (0.41) MEN1KMT2AMAPTPKMHTT
SCHEMBL14709959 0.70 OPRM1 (0.39) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL23585562 0.68 PIK3CA (0.32)
SCHEMBL21761019 0.68 F2RL3 (0.32) MEN1KMT2AMAPT
SCHEMBL21761014 0.68 MEN1 (0.37) MEN1KMT2AMAPTPKMHTT
SCHEMBL22397059 0.65 POLB (0.51) OPRM1OPRD1OPRK1SLC22A1SLC6A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3842439-A1 BICYCLIC HETEROAROMATIC RING DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2021-06-30 EP disclosed
WO-2020040104-A1 BICYCLIC HETEROAROMATIC RING DERIVATIVE 杏林製薬株式会社 2020-02-27 WO disclosed