SCHEMBL9720769

SCHEMBL9720769

Oc1ccc(CN2CCN(CC(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.62
DRD4 P21917 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.55
SIGMAR1 Q99720 1/20 0.53
IGF1R P08069 1/20 0.51
ACHE P22303 1/20 0.50
BACE1 P56817 1/20 0.50
HTT P42858 1/20 0.50
ATM Q13315 1/20 0.50

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
SCHEMBL16226160 0.88 KDM4E (0.72) KDM4EDRD4SIGMAR1IGF1RHTT
SCHEMBL9720752 0.84 DRD4 (0.77) DRD4SIGMAR1ACHEBACE1
Belarizine SCHEMBL2108057 0.83 ATM (0.73) KDM4EDRD4L3MBTL1HTTATM
SCHEMBL9720795 0.82 CCR2 (0.54) DRD4L3MBTL1SIGMAR1
SCHEMBL5428090 0.80 DRD4 (0.63) KDM4EDRD4SIGMAR1ACHEBACE1
SCHEMBL10362355 0.77 KDM4E (0.74) KDM4ESIGMAR1IGF1RHTTATM
SCHEMBL10515610 0.77 BACE1 (0.57) DRD4L3MBTL1SIGMAR1ACHEBACE1
SCHEMBL9720751 0.77 KCNH2 (0.71) KDM4EDRD4SIGMAR1HTTATM
SCHEMBL4468044 0.77 KDM4E (1.00) KDM4ESIGMAR1IGF1RHTTATM
SCHEMBL4465545 0.77 KDM4E (1.00) KDM4ESIGMAR1IGF1RHTTATM

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
US-5142052-A Cationic effect-driven carbinol/amine reaction LABORATOIRES SYNTEX (FR) 1992-08-25 US disclosed