SCHEMBL13175692

SCHEMBL13175692

CC(C)(O)CC1CCN(C(=O)c2cc(-c3cc(F)cc(F)c3)n[nH]2)CC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 3/20 0.50
▸ KDM5B Q9UGL1 7/20 0.46
▸ TACR3 P29371 4/20 0.43
▸ PDK1 Q15118 1/20 0.42
▸ PDK2 Q15119 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ ALPL P05186 1/20 0.40

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
SCHEMBL13175454 0.91 KDM5B (0.56) AKR1C3KDM5BTACR3PDK1PDK2
SCHEMBL13175489 0.88 AKR1C3 (0.48) AKR1C3KDM5BTACR3PDK1PDK2
SCHEMBL13175878 0.87 MAPT (0.49) AKR1C3KDM5BTACR3PDK1PDK2
SCHEMBL13175738 0.87 AKR1C3 (0.50) AKR1C3KDM5BTACR3PDK1PDK2
SCHEMBL13175618 0.86 AKR1C3 (0.59) AKR1C3KDM5BTACR3
SCHEMBL13175612 0.85 TACR3 (0.53) AKR1C3KDM5BTACR3LMNAMAPT
SCHEMBL13175632 0.85 AKR1C3 (0.59) AKR1C3KDM5BTACR3LMNAMAPT
SCHEMBL13175478 0.85 TACR3 (0.56) AKR1C3KDM5BTACR3PDK1PDK2
SCHEMBL13175711 0.84 AKR1C3 (0.54) AKR1C3KDM5BTACR3LMNAALPL
SCHEMBL13175620 0.84 TACR3 (0.58) AKR1C3KDM5BTACR3MAPTALPL

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
WO-2010101128-A1 AMIDE COMPOUND アステラス製薬株式会社 (JP) 2010-09-10 — — WO disclosed
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