SCHEMBL28529975

SCHEMBL28529975

CC(C)(C)OC(=O)N1[C@H](c2cccc(F)c2)CC[C@@H]1C(C)(C)C=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.47
NTRK1 P04629 4/20 0.40
JAK2 O60674 3/20 0.40
PDE5A O76074 1/20 0.40
CALCRL Q16602 5/20 0.40
GPR119 Q8TDV5 1/20 0.38
DRD4 P21917 1/20 0.37
KCNQ2 O43526 1/20 0.37
MAOB P27338 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL28907087 0.90 CALCRL (0.48) RIPK1NTRK1JAK2PDE5ACALCRL
SCHEMBL28521349 0.88 RIPK1 (0.50) RIPK1NTRK1JAK2PDE5ACALCRL
SCHEMBL20835904 0.88 RIPK1 (0.50) RIPK1NTRK1JAK2PDE5ACALCRL
SCHEMBL20835879 0.86 RIPK1 (0.48) RIPK1NTRK1JAK2PDE5ACALCRL
SCHEMBL20835797 0.86 RIPK1 (0.48) RIPK1NTRK1JAK2PDE5ACALCRL
SCHEMBL28907112 0.86 RIPK1 (0.48) RIPK1NTRK1JAK2PDE5ACALCRL
SCHEMBL28521345 0.85 RIPK1 (0.47) RIPK1NTRK1JAK2PDE5ACALCRL
SCHEMBL28518941 0.85 RIPK1 (0.47) RIPK1NTRK1JAK2PDE5ACALCRL
SCHEMBL28908006 0.84 RIPK1 (0.49) RIPK1NTRK1JAK2PDE5AGPR119
SCHEMBL21093659 0.84 RIPK1 (0.35) RIPK1NTRK1JAK2PDE5ACALCRL

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-109476639-B Pyrrolidine derivatives 橘生药品工业股份有限公司 2021-02-26 CN disclosed