SCHEMBL28548738

SCHEMBL28548738

CC(C)(C)OC(=O)N1CCN(c2ncc(Oc3cccc(-c4cc(Cl)cc(Cl)c4)c3)cn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 11/20 0.52
▸ CKS1B P61024 2/20 0.46
▸ SKP1 P63208 2/20 0.46
▸ SKP2 Q13309 2/20 0.46
▸ PTPN11 Q06124 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.43
▸ SLC6A7 Q99884 1/20 0.43
▸ ADK P55263 1/20 0.42
▸ KIT P10721 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL21551433 0.86 GPR119 (0.48) GPR119CKS1BSKP1SKP2PTPN11
SCHEMBL21550983 0.85 GPR119 (0.52) GPR119CKS1BSKP1SKP2PTPN11
SCHEMBL29891027 0.85 GPR119 (0.52) GPR119CKS1BSKP1SKP2PTPN11
SCHEMBL28538439 0.81 HRH4 (0.45) KIT
SCHEMBL21551682 0.81 GPR119 (0.54) GPR119
SCHEMBL30931826 0.78 GPR119 (0.53) GPR119CKS1BSKP1SKP2ADK
SCHEMBL29891789 0.78 GPR119 (0.53) GPR119CKS1BSKP1SKP2ADK
SCHEMBL21551124 0.78 GPR119 (0.53) GPR119CKS1BSKP1SKP2ADK
SCHEMBL21159159 0.77 GPR119 (0.60) GPR119CKS1BSKP1SKP2PTPN11
SCHEMBL21551056 0.77 GPR119 (0.48) GPR119CKS1BSKP1SKP2ADK

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-112384509-A Furin inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2021-02-19 — — CN disclosed
Send feedback