SCHEMBL4136516

SCHEMBL4136516

O=CCc1ccc(N2CCC3(CC2)CCN(C2CCC2)CC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.47
L3MBTL3 Q96JM7 16/20 0.46
L3MBTL1 Q9Y468 13/20 0.46
TP53BP1 Q12888 2/20 0.44
MBTD1 Q05BQ5 2/20 0.44
FFAR4 Q5NUL3 1/20 0.42
MMP2 P08253 1/20 0.40
MMP13 P45452 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
SCHEMBL4141352 0.96 FFAR4 (0.48) HRH3L3MBTL3L3MBTL1TP53BP1MBTD1
SCHEMBL4123180 0.89 HRH3 (0.39) HRH3L3MBTL3L3MBTL1TP53BP1MBTD1
SCHEMBL14027014 0.86 TRIM24 (0.56) HRH3L3MBTL3L3MBTL1TP53BP1MBTD1
SCHEMBL4142352 0.84 L3MBTL3 (0.42) HRH3L3MBTL3L3MBTL1TP53BP1MBTD1
SCHEMBL4937978 0.82 L3MBTL3 (0.40) HRH3L3MBTL3L3MBTL1TP53BP1MBTD1
SCHEMBL4135765 0.82 L3MBTL3 (0.70) HRH3L3MBTL3L3MBTL1TP53BP1MBTD1
SCHEMBL4129096 0.82 HRH3 (0.44) HRH3L3MBTL3L3MBTL1TP53BP1MBTD1
SCHEMBL4135581 0.81 TLR9 (0.38) HRH3FFAR4
SCHEMBL4130771 0.81 ALDH1A1 (0.42) HRH3FFAR4
SCHEMBL4130526 0.81 L3MBTL3 (0.68) HRH3L3MBTL3L3MBTL1TP53BP1MBTD1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2021004-A2 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION (US) 2009-02-11 EP claimed
WO-2007133561-A2 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION (US) 2007-11-22 WO claimed
EP-2021004-A2 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION (US) 2009-02-11 EP disclosed
WO-2007133561-A2 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION (US) 2007-11-22 WO disclosed