SCHEMBL21557694

SCHEMBL21557694

F[C@@H]1CN(c2cnc3[nH]ccc3c2)CC(F)(F)O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ OPRM1 P35372 1/20 0.37
▸ OPRL1 P41146 1/20 0.37
▸ AXL P30530 1/20 0.35
▸ CDK8 P49336 1/20 0.35
▸ METAP2 P50579 2/20 0.35
▸ PIK3CD O00329 2/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ RIPK1 Q13546 2/20 0.34
▸ LRRK2 Q5S007 2/20 0.34
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ APP P05067 1/20 0.33
▸ NUDT1 P36639 1/20 0.32
▸ GPR183 P32249 1/20 0.32
▸ PIK3R1 P27986 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
SCHEMBL20504109 0.82 OPRM1 (0.40) SLC6A2SLC6A4SLC6A3OPRM1OPRL1
SCHEMBL21557943 0.77 MAPK1 (0.38) METAP2
SCHEMBL20504127 0.73 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3OPRM1OPRL1
SCHEMBL20503980 0.72 OPRM1 (0.40) SLC6A2SLC6A4SLC6A3OPRM1OPRL1
SCHEMBL21557997 0.72 MAPT (0.45) SLC6A2SLC6A4SLC6A3OPRM1OPRL1
SCHEMBL20503901 0.72 MAPT (0.45) SLC6A2SLC6A4SLC6A3OPRM1OPRL1
SCHEMBL20503902 0.72 MAPT (0.45) SLC6A2SLC6A4SLC6A3OPRM1OPRL1
SCHEMBL20503870 0.72 MAPT (0.45) SLC6A2SLC6A4SLC6A3OPRM1OPRL1
SCHEMBL20503942 0.72 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3OPRM1OPRL1
SCHEMBL20503943 0.72 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3OPRM1OPRL1

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
EP-3377491-B1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV DISCOVERY (FR) 2019-11-13 — — EP disclosed
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