SCHEMBL4138927

SCHEMBL4138927

O=C(C1=CC[CH]C=C1)N1CCC2(CC1)CCN(C1CCC1)CC2

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.44
L3MBTL3 Q96JM7 8/20 0.40
L3MBTL1 Q9Y468 6/20 0.40
MBTD1 Q05BQ5 2/20 0.37
TP53BP1 Q12888 1/20 0.37
L3MBTL4 Q8NA19 1/20 0.37

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
SCHEMBL6636579 0.76 HPGD (0.38) L3MBTL1
SCHEMBL6634994 0.76 HPGD (0.42)
SCHEMBL6218786 0.75 HPGD (0.46) L3MBTL1
SCHEMBL4930102 0.72 HRH3 (0.75) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL4938741 0.70 HRH3 (0.58) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL4138929 0.70 HRH3 (0.58) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL6634977 0.69 SIGMAR1 (0.45) HRH3
SCHEMBL6223928 0.69 POLB (0.42) L3MBTL1
SCHEMBL15904093 0.68 MAPK1 (0.45) L3MBTL1
SCHEMBL14344672 0.66 HRH3 (0.46) HRH3

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 2 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