SCHEMBL9283554

SCHEMBL9283554

OC1C2CCN(CC2)C1(c1ccccc1)c1ccc2ccccc2n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
FAAH O00519 2/20 0.36
HRH3 Q9Y5N1 2/20 0.35
LMNA P02545 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
HTT P42858 1/20 0.34
CHRNA7 P36544 4/20 0.34
TSHR P16473 1/20 0.33
MGAM O43451 1/20 0.33
PDE10A Q9Y233 2/20 0.32

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
SCHEMBL8551083 0.68 MMP3 (0.44) LMNABCHEACHEPDE10A
SCHEMBL10083312 0.60 MGAM (0.49) CNR2LMNAHTTTSHRMGAM
SCHEMBL28659625 0.59 HTT (0.46) CNR2LMNAACHEHTTMGAM
SCHEMBL28089401 0.59 HTT (0.37) CNR2LMNAHTTMGAMPDE10A
SCHEMBL2631079 0.59 HRH3 (0.65) HRH3HTTPDE10A
SCHEMBL22127183 0.58 NCF1 (0.47) LMNAACHEHTTMGAM
SCHEMBL28408101 0.58 LMNA (0.39) CNR2HRH3LMNAACHEHTT
SCHEMBL4936198 0.58 LMNA (0.39) HRH3LMNAACHEHTTMGAM
SCHEMBL28812734 0.58 ALDH1A1 (0.46) CNR1LMNAHTT
Benzene SCHEMBL27625550 0.58 MGAM (0.54) CNR2LMNAACHEMGAM

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
WO-1995031458-A1 3-HYDROXYQUINUCLIDIN-3-YLPHENYLQUINOLINES AS SQUALENE SYNTHASE INHIBITORS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1995-11-23 WO disclosed
WO-1995031458-A1 3-HYDROXYQUINUCLIDIN-3-YLPHENYLQUINOLINES AS SQUALENE SYNTHASE INHIBITORS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1995-11-23 WO disclosed