SCHEMBL13974261

SCHEMBL13974261

CN1CCN(c2cc(-c3ccc(C(C)(C)O)cc3)ccn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
RAD52 P43351 1/20 0.52
UBE2N P61088 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HRH4 Q9H3N8 4/20 0.48
TLR9 Q9NR96 2/20 0.45
TLR8 Q9NR97 2/20 0.45
TLR7 Q9NYK1 2/20 0.45
METAP2 P50579 2/20 0.43
LRRK2 Q5S007 2/20 0.42
ABL1 P00519 1/20 0.42
NMT1 P30419 1/20 0.42
DYRK1A Q13627 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 3/20 0.40
HSD17B10 Q99714 3/20 0.40
HTR3A P46098 1/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 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
SCHEMBL13974434 0.86 KDM4E (0.49) KDM4ERAD52UBE2NL3MBTL1HRH4
SCHEMBL13974260 0.81 DGAT1 (0.54) L3MBTL1HTR3A
SCHEMBL3137101 0.77 KDM4E (0.53) KDM4ERAD52UBE2NL3MBTL1HRH4
SCHEMBL2385606 0.77 HRH4 (0.58) KDM4ERAD52UBE2NL3MBTL1HRH4
SCHEMBL12412565 0.75 HRH4 (0.56) KDM4ERAD52UBE2NL3MBTL1HRH4
SCHEMBL2384691 0.74 HTR6 (0.66) KDM4ERAD52UBE2NL3MBTL1HRH4
SCHEMBL2388259 0.74 TLR9 (0.50) KDM4ERAD52UBE2NL3MBTL1HRH4
SCHEMBL15317749 0.74 ABL1 (0.51) LRRK2ABL1
SCHEMBL18436092 0.74 OGA (0.54) KDM4EL3MBTL1HRH3ALDH1A1CYP1A2
SCHEMBL15344219 0.73 RAD52 (0.55) KDM4ERAD52UBE2NL3MBTL1HRH4

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-2012158784-A2 MODULATORS OF THE NUCLEAR HORMONE RECEPTOR ROR KAMENECKA THEODORE MARK (US) 2012-11-22 WO disclosed