SCHEMBL13175489

SCHEMBL13175489

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

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 3/20 0.48
▸ TACR3 P29371 4/20 0.46
▸ RORC P51449 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ KDM5B Q9UGL1 7/20 0.41
▸ RBP4 P02753 1/20 0.39
▸ PDK1 Q15118 1/20 0.39
▸ PDK2 Q15119 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL13175478 0.91 TACR3 (0.56) AKR1C3TACR3LMNAKDM5BPDK1
SCHEMBL13175689 0.90 AKR1C3 (0.50) AKR1C3TACR3LMNAKDM5B
SCHEMBL13175692 0.88 AKR1C3 (0.50) AKR1C3TACR3LMNAKDM5BPDK1
SCHEMBL13175454 0.84 KDM5B (0.56) AKR1C3TACR3LMNAKDM5BPDK1
SCHEMBL13175618 0.84 AKR1C3 (0.59) AKR1C3TACR3KDM5B
SCHEMBL13175475 0.84 AKR1C3 (0.47) AKR1C3TACR3LMNAKDM5BPDK1
SCHEMBL13175632 0.83 AKR1C3 (0.59) AKR1C3TACR3LMNAKDM5BMAPT
SCHEMBL13175612 0.83 TACR3 (0.53) AKR1C3TACR3LMNAKDM5BMAPT
SCHEMBL13175738 0.83 AKR1C3 (0.50) AKR1C3TACR3LMNAKDM5BPDK1
SCHEMBL13175498 0.83 AKR1C3 (0.46) AKR1C3TACR3RORCLMNAKDM5B

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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