SCHEMBL4733284

SCHEMBL4733284

Cn1nc2cc(C#N)ccc2c1C(=O)N1CCN(CCc2ccc(F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.49
HTR2C P28335 3/20 0.49
HTR7 P34969 3/20 0.48
DRD4 P21917 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
SLC6A2 P23975 1/20 0.48
HTR1D P28221 1/20 0.48
SLC6A4 P31645 1/20 0.48
HTR2B P41595 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
KCNJ1 P48048 3/20 0.44
KCNH2 Q12809 3/20 0.44
CDK1 P06493 1/20 0.43
HTR6 P50406 2/20 0.43
CACNA1F O60840 1/20 0.43
HTR1A P08908 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
DRD2 P14416 1/20 0.43

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
SCHEMBL14205804 0.85 HTR2A (0.52) HTR2AHTR2CHTR7DRD4SIGMAR1
SCHEMBL4782110 0.83 HTR2A (0.54) HTR2AHTR2CHTR7DRD4SIGMAR1
SCHEMBL4782502 0.78 HTR2A (0.51) HTR2AHTR2CHTR7DRD4SIGMAR1
SCHEMBL3144485 0.74 HTR2A (0.62) HTR2AHTR2CPRKAA2
SCHEMBL22756722 0.72 PDK2 (0.56) PDK1PDK2CDK1
SCHEMBL14205205 0.72 HTR2A (0.60) HTR2AHTR2CKCNH2
SCHEMBL9513154 0.72 MEN1 (0.68) HTR2AHTR2CHTR7KCNH2HTR6
SCHEMBL4854500 0.72 HTR2A (0.58) HTR2AHTR2CKCNH2
SCHEMBL3134453 0.71 HTR2A (0.71) HTR2AHTR2CPRKAA2
SCHEMBL4780999 0.71 HTR2A (0.59) HTR2AHTR2CPDK2KCNH2

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-2008054748-A2 INDAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-05-08 WO disclosed