SCHEMBL22208222

SCHEMBL22208222

O=C(O)N1CC[C@@H]2C1CN2Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.44
OPRK1 P41145 3/20 0.44
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL3580101 1.00 OPRM1 (0.44) OPRM1OPRK1MEN1TSHRKMT2A
SCHEMBL30064999 1.00 OPRM1 (0.44) OPRM1OPRK1MEN1TSHRKMT2A
SCHEMBL22555109 1.00 OPRM1 (0.44) OPRM1OPRK1MEN1TSHRKMT2A
SCHEMBL22555142 0.85 PDK1 (0.47) OPRM1OPRK1MEN1TSHRKMT2A
SCHEMBL22555075 0.85 PDK1 (0.47) OPRM1OPRK1MEN1TSHRKMT2A
SCHEMBL651151 0.82 STS (0.47) KMT2A
SCHEMBL30071078 0.82 STS (0.47) KMT2A
SCHEMBL929751 0.82 STS (0.47) KMT2A
SCHEMBL29889592 0.79 ABL1 (0.46) OPRK1
SCHEMBL27816784 0.78 BCHE (0.49) MEN1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4087573-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2022-11-16 EP disclosed
EP-3908283-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2021-11-17 EP disclosed
WO-2020146613-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2020-07-16 WO disclosed