SCHEMBL17864293

SCHEMBL17864293

CN1CC(N)[C@@H](c2ccc(C3CC3)s2)C1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.32

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
SCHEMBL19349201 1.00 MAPK1 (0.32) MAPK1
SCHEMBL17864286 0.84 SLC6A2 (0.42) MAPK1
SCHEMBL19381820 0.81 MAPK1 (0.33) MAPK1
SCHEMBL19368197 0.77 MAPK1 (0.32) MAPK1
SCHEMBL17864291 0.76 KDM1A (0.49) MAPK1
SCHEMBL20656923 0.75 KDM1A (0.45)
SCHEMBL20656924 0.75 KDM1A (0.45)
SCHEMBL21535772 0.71 KDM4E (0.41)
SCHEMBL23269920 0.67 MAOB (0.54)
SCHEMBL16649958 0.67 MAOB (0.54)

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
WO-2016100050-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-23 WO disclosed
WO-2016095089-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-23 WO disclosed