SCHEMBL4848833

SCHEMBL4848833

Cn1nc(C(=O)N2CCN(CCc3ccc(Cl)cc3)CC2)c2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.63
DRD2 P14416 2/20 0.63
THRB P10828 1/20 0.53
LMNA P02545 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KCNH2 Q12809 1/20 0.48
RBP4 P02753 1/20 0.48
HTR2C P28335 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44

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
SCHEMBL14205784 0.89 HTR2A (0.63) HTR2ADRD2THRBLMNAMEN1
SCHEMBL4781253 0.89 HTR2A (0.61) HTR2ADRD2MEN1KMT2AKCNH2
SCHEMBL14205788 0.87 HTR2A (0.48) HTR2ADRD2THRBLMNAMEN1
SCHEMBL4783869 0.85 HTR2A (0.68) HTR2ADRD2THRBMEN1KMT2A
SCHEMBL27249713 0.83 HTR2A (0.66) HTR2ADRD2MEN1KMT2ARBP4
SCHEMBL4780625 0.82 HTR2A (0.64) HTR2ADRD2MEN1KMT2AKCNH2
SCHEMBL4782835 0.80 HTR2A (0.64) HTR2ADRD2LMNAMEN1KMT2A
SCHEMBL27249712 0.78 DRD2 (0.60) HTR2ADRD2MEN1KMT2ARBP4
SCHEMBL4781375 0.78 PTGS1 (0.58) HTR2ADRD2MEN1KMT2AKCNH2
SCHEMBL3138755 0.77 HTR2A (0.79) HTR2ATHRBLMNAMEN1KMT2A

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