SCHEMBL29660767

SCHEMBL29660767

CN1CCN(c2ccc(N)nc2)CC1=O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.52
MTOR P42345 2/20 0.52
OPRM1 P35372 1/20 0.44
OPRL1 P41146 1/20 0.44
EP300 Q09472 7/20 0.40
PIM1 P11309 2/20 0.39
AOC3 Q16853 2/20 0.39
TRPC6 Q9Y210 2/20 0.38
LRRK2 Q5S007 2/20 0.38
GCK P35557 2/20 0.38
GCKR Q14397 1/20 0.38

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
SCHEMBL4892107 1.00 PIK3CA (0.52) PIK3CAMTOROPRM1OPRL1EP300
SCHEMBL26944374 0.83 OPRM1 (0.43) PIK3CAMTOROPRM1OPRL1EP300
SCHEMBL20037685 0.82 OPRM1 (0.42) PIK3CAMTOROPRM1OPRL1EP300
SCHEMBL22650907 0.81 EP300 (0.42) PIK3CAMTOREP300TRPC6LRRK2
SCHEMBL20249112 0.79 OPRM1 (0.41) PIK3CAMTOROPRM1OPRL1EP300
SCHEMBL5726036 0.79 MAPT (0.56) PIK3CAMTOROPRM1OPRL1
SCHEMBL22983954 0.77 MAPT (0.59) OPRM1OPRL1EP300PIM1AOC3
SCHEMBL521324 0.77 MAPT (0.58) PIK3CAMTOR
SCHEMBL29664444 0.77 MAPT (0.58) PIK3CAMTOR
SCHEMBL1269255 0.76 PIK3CA (0.43) PIK3CAMTORTRPC6GCKGCKR

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-114502536-A Heterocyclic compounds as kinase inhibitors 诺维逊生物股份有限公司 2022-05-13 CN disclosed