SCHEMBL13175665

SCHEMBL13175665

Cc1cc(C(=O)N2CCC(CC(C)(C)O)CC2)[nH]n1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 10/20 0.57
▸ RORC P51449 2/20 0.38
▸ KDM5A P29375 3/20 0.38
▸ KDM5B Q9UGL1 2/20 0.37
▸ MAPT P10636 1/20 0.36

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
SCHEMBL13175632 0.83 AKR1C3 (0.59) AKR1C3KDM5BMAPT
SCHEMBL13175601 0.82 AKR1C3 (0.58) AKR1C3KDM5BMAPT
SCHEMBL13175615 0.82 AKR1C3 (0.53) AKR1C3RORCKDM5BMAPT
SCHEMBL13175618 0.82 AKR1C3 (0.59) AKR1C3KDM5AKDM5B
SCHEMBL13175870 0.81 AKR1C3 (0.56) AKR1C3KDM5B
SCHEMBL13175612 0.81 TACR3 (0.53) AKR1C3KDM5BMAPT
SCHEMBL13175692 0.81 AKR1C3 (0.50) AKR1C3KDM5BMAPT
SCHEMBL13175877 0.81 AKR1C3 (0.58) AKR1C3KDM5BMAPT
SCHEMBL13175900 0.81 AKR1C3 (0.56) AKR1C3KDM5BMAPT
SCHEMBL13175858 0.81 AKR1C3 (0.58) AKR1C3KDM5BMAPT

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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