SCHEMBL14205804

SCHEMBL14205804

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.52
HTR2C P28335 5/20 0.52
PRKAA2 P54646 1/20 0.45
HTR7 P34969 2/20 0.42
HTR6 P50406 1/20 0.42
DRD4 P21917 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR1D P28221 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR2B P41595 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL4733284 0.85 HTR2A (0.49) HTR2AHTR2CPRKAA2HTR7HTR6
SCHEMBL9426176 0.78 MEN1 (0.60) HTR2AHTR2CPRKAA2HTR7HTR6
SCHEMBL14205783 0.77 HTR2A (0.53) HTR2AHTR2CPRKAA2HTR7DRD4
SCHEMBL3144485 0.76 HTR2A (0.62) HTR2AHTR2CPRKAA2
SCHEMBL17444707 0.74 MEN1 (0.59) PRKAA2
SCHEMBL14205205 0.74 HTR2A (0.60) HTR2AHTR2C
SCHEMBL9513154 0.74 MEN1 (0.68) HTR2AHTR2CPRKAA2HTR7HTR6
SCHEMBL3134453 0.73 HTR2A (0.71) HTR2AHTR2CPRKAA2
SCHEMBL3140015 0.72 HTR2A (0.63) HTR2AHTR2CPRKAA2
SCHEMBL4783828 0.72 HTR2A (0.62) HTR2AHTR2CTMEM97

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