SCHEMBL8092993

SCHEMBL8092993

Cc1cc(CC2CCN(Cc3ccccc3C#N)CC2)c2cccc(F)c2n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 4/20 0.44
HTR3A P46098 4/20 0.44
HTR4 Q13639 4/20 0.44
HTR2C P28335 3/20 0.44
HTR7 P34969 2/20 0.44
ATM Q13315 1/20 0.44
HTR2A P28223 2/20 0.42
DRD2 P14416 1/20 0.42
HRH1 P35367 1/20 0.42
HTR1A P08908 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
CHRM4 P08173 2/20 0.41
ACHE P22303 2/20 0.39
DCPS Q96C86 1/20 0.39
CCR3 P51677 2/20 0.38

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
SCHEMBL8088026 0.84 HTR2C (0.40) HTR2BHTR3AHTR4HTR2CHTR7
SCHEMBL8091569 0.83 CYP3A4 (0.49) ATMHTR2ADRD2HRH1GRIN1
SCHEMBL8102227 0.80 GRIN1 (0.42) HTR2BHTR3AHTR4HTR2CHTR7
SCHEMBL8102177 0.79 GPR6 (0.47) ATMHTR1A
SCHEMBL8095854 0.78 KDM4E (0.46) HTR2BHTR3AHTR4HTR2CHTR7
SCHEMBL8101941 0.78 KDM4E (0.45) HTR2BHTR3AHTR4HTR2CHTR7
SCHEMBL8094653 0.77 PDE2A (0.47) HTR2BATMCHRM4ACHE
SCHEMBL8103772 0.74 DPP4 (0.43) ATMHTR1AGRIN1GRIN2BACHE
SCHEMBL13945390 0.74 AR (0.39) HTR2BHTR3AHTR4HTR2CHTR7
SCHEMBL8102582 0.73 DPP4 (0.49) HTR2BHTR4HTR7HTR2ADRD2

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