SCHEMBL8096499

SCHEMBL8096499

Cc1cc(CC2CCN(Cc3ccc(C(=O)O)cc3)CC2)c2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
BCHE P06276 5/20 0.50
ACHE P22303 5/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NCF1 P14598 1/20 0.50
LTA4H P09960 1/20 0.49
LMNA P02545 1/20 0.49
KDM1A O60341 3/20 0.48
DRD2 P14416 1/20 0.48
MAOB P27338 1/20 0.48
HTR2A P28223 1/20 0.48
SLC6A4 P31645 1/20 0.48
SCN5A Q14524 1/20 0.48
KCNH2 Q12809 1/20 0.48
HTR4 Q13639 1/20 0.48
ADAM17 P78536 2/20 0.47
ICAM1 P05362 1/20 0.46

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
SCHEMBL13945423 0.82 HTR1D (0.50) SMN1; SMN2NCF1LTA4HKCNH2HTR4
SCHEMBL6153469 0.79 GAA (0.80) GAAMEN1KMT2ASMN1; SMN2LTA4H
SCHEMBL8095852 0.79 CCR3 (0.47) MEN1KMT2ASMN1; SMN2DRD2HTR2A
SCHEMBL8094653 0.77 PDE2A (0.47) GAABCHEACHENCF1
SCHEMBL3967865 0.76 ADAM17 (0.57) GAAMEN1KMT2ASMN1; SMN2ADAM17
SCHEMBL13945422 0.74 KDM4E (0.50) MEN1KMT2ANCF1
SCHEMBL22628913 0.74 GAA (0.49) GAAMEN1KMT2ASMN1; SMN2LTA4H
SCHEMBL14032717 0.74 KDM1A (0.56) GAABCHEACHEKDM1ADRD2
SCHEMBL27533416 0.73 CCR3 (0.68) GAAMEN1KMT2ABCHEACHE
SCHEMBL8104188 0.73 HRH1 (0.47) MEN1KMT2ABCHEACHEKCNH2

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-2009000085-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES USEFUL AS MODULATORS OF GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2008-12-31 WO disclosed