SCHEMBL13175674

SCHEMBL13175674

CC(C)(O)CC1CCN(C(=O)c2cc(-c3ccc4c(c3)OCCO4)n[nH]2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ MAPT P10636 4/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ AKR1C3 P42330 3/20 0.48
▸ BRAF P15056 1/20 0.43
▸ TACR3 P29371 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ KDM5B Q9UGL1 4/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 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
SCHEMBL13175632 0.84 AKR1C3 (0.59) ALPLMAPTRAB9AAKR1C3TACR3
SCHEMBL13175617 0.84 AKR1C3 (0.44) KDM4EMAPTNPC1RAB9AAKR1C3
SCHEMBL13175715 0.83 AKR1C3 (0.50) ALPLMAPTAKR1C3TACR3LMNA
SCHEMBL13175738 0.83 AKR1C3 (0.50) MAPTAKR1C3TACR3LMNAKDM5B
SCHEMBL13175455 0.83 AKR1C3 (0.57) AKR1C3TACR3LMNAKDM5BMEN1
SCHEMBL13175620 0.83 TACR3 (0.58) ALPLMAPTAKR1C3TACR3KDM5B
SCHEMBL13175695 0.83 LMNA (0.59) MAPTAKR1C3TACR3LMNAKDM5B
SCHEMBL13175454 0.83 KDM5B (0.56) ALPLMAPTAKR1C3TACR3LMNA
SCHEMBL13175618 0.83 AKR1C3 (0.59) AKR1C3TACR3KDM5BMEN1KMT2A
SCHEMBL13175696 0.83 TACR3 (0.52) ALPLMAPTAKR1C3TACR3LMNA

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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