SCHEMBL29889592

SCHEMBL29889592

CCCCOC(=O)N1CC[C@@H]2[C@H]1CN2Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
S1PR5 Q9H228 3/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
ELANE P08246 1/20 0.42
BCHE P06276 1/20 0.42
ECE1 P42892 1/20 0.41

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
SCHEMBL9596103 0.81 ALDH1A1 (0.47) ELANE
SCHEMBL30071078 0.80 STS (0.47)
SCHEMBL651151 0.80 STS (0.47)
SCHEMBL929751 0.80 STS (0.47)
SCHEMBL7983086 0.79 PDK1 (0.55) S1PR5OPRD1OPRK1BCHEECE1
SCHEMBL7983089 0.79 PDK1 (0.55) S1PR5OPRD1OPRK1BCHEECE1
SCHEMBL7983083 0.79 PDK1 (0.55) S1PR5OPRD1OPRK1BCHEECE1
SCHEMBL22555109 0.79 OPRM1 (0.44) OPRK1
SCHEMBL22208222 0.79 OPRM1 (0.44) OPRK1
SCHEMBL30064999 0.79 OPRM1 (0.44) OPRK1

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-4322945-A2 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2024-02-21 EP disclosed
WO-2022221528-A2 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2022-10-20 WO disclosed