SCHEMBL13175696

SCHEMBL13175696

CC(C)(O)CC1CCN(C(=O)c2cc(-c3ccc(N4CCOCC4)cc3)n[nH]2)CC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TACR3 P29371 5/20 0.52
▸ AKR1C3 P42330 3/20 0.48
▸ ALPL P05186 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ KDM5B Q9UGL1 6/20 0.44
▸ MAPT P10636 2/20 0.43

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 0.86 AKR1C3 (0.59) TACR3AKR1C3ALPLLMNAKDM5B
SCHEMBL13175620 0.85 TACR3 (0.58) TACR3AKR1C3ALPLKDM5BMAPT
SCHEMBL13175695 0.85 LMNA (0.59) TACR3AKR1C3LMNAKDM5BMAPT
SCHEMBL13175455 0.85 AKR1C3 (0.57) TACR3AKR1C3LMNAKDM5B
SCHEMBL13175454 0.85 KDM5B (0.56) TACR3AKR1C3ALPLLMNAKDM5B
SCHEMBL13175618 0.85 AKR1C3 (0.59) TACR3AKR1C3KDM5B
SCHEMBL13175947 0.84 CA12 (0.53) TACR3AKR1C3ALPLLMNAKDM5B
SCHEMBL13175612 0.84 TACR3 (0.53) TACR3AKR1C3LMNAKDM5BMAPT
SCHEMBL13175725 0.83 AKR1C3 (0.50) TACR3AKR1C3LMNAKDM5BMAPT
SCHEMBL13175686 0.83 AKR1C3 (0.61) TACR3AKR1C3ALPLLMNAMAPT

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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