SCHEMBL28289061

SCHEMBL28289061

CC(C)(C)C(=O)ON1CCN(Cc2cscn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 13/20 0.40
KCNH2 Q12809 8/20 0.40
OPRM1 P35372 7/20 0.40
SRPK1 Q96SB4 3/20 0.39
DRD2 P14416 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
GPR6 P46095 1/20 0.37
AURKA O14965 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
SCHEMBL2733434 0.80 CHRM2 (0.44) OPRD1KCNH2OPRM1SRPK1
SCHEMBL28872036 0.74 TSHR (0.51)
SCHEMBL210366 0.74 OPRD1 (0.42) OPRD1KCNH2OPRM1SRPK1DRD2
SCHEMBL14338849 0.73 KCNH2 (0.49) OPRD1KCNH2OPRM1DRD2AURKA
SCHEMBL23028550 0.71 CKS1B (0.47) DRD2FNTAFNTB
SCHEMBL31546371 0.70 LTA4H (0.50) OPRD1KCNH2OPRM1DRD2
SCHEMBL28831464 0.69 L3MBTL1 (0.45) DRD2
SCHEMBL21612153 0.69 PPARG (0.35) KCNH2
SCHEMBL2662022 0.68 CHKA (0.47) OPRD1KCNH2OPRM1DRD2
SCHEMBL28872094 0.68 KMT2A (0.52)

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
CN-109563092-A It can be used as the 2- phenylimidazole of the active inhibitor of mammal tyrosine kinase ROR1 simultaneously [4,5-B] pyridine -7- amine derivative 坎塞拉有限公司 2019-04-02 CN disclosed