SCHEMBL9693397

SCHEMBL9693397

NC(=O)CNC1c2ccccc2COc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.46
KDM1A O60341 1/20 0.40
HTR2C P28335 3/20 0.39
SLC6A3 Q01959 1/20 0.39
TBXA2R P21731 5/20 0.38
HTR2A P28223 2/20 0.37
HRH1 P35367 2/20 0.37
ATM Q13315 2/20 0.36

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
SCHEMBL9693136 0.82 HTR2C (0.55) KDM1AHTR2CSLC6A3HTR2A
SCHEMBL17425315 0.80 TBXAS1 (0.56) TBXAS1KDM1AHTR2CTBXA2R
SCHEMBL11611768 0.78 HTR2C (0.44) TBXAS1HTR2CSLC6A3TBXA2RHTR2A
SCHEMBL17425316 0.76 TBXAS1 (0.55) TBXAS1KDM1AHTR2CSLC6A3TBXA2R
SCHEMBL6774962 0.76 HTR2A (0.40) TBXAS1HTR2CTBXA2RHTR2AHRH1
SCHEMBL9691458 0.74 GAA (0.58) KDM1AHTR2CSLC6A3TBXA2R
SCHEMBL9693300 0.74 KDM1A (0.40) TBXAS1KDM1AHTR2CSLC6A3
SCHEMBL7528263 0.74 MAPT (0.47) KDM1AATM
SCHEMBL1366717 0.74 TBXAS1 (0.55) TBXAS1KDM1ATBXA2R
SCHEMBL25680730 0.73 TBXAS1 (0.45) TBXAS1

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
US-5141960-A Central nervous system disorders G. D. SEARLE & CO. (US) 1992-08-25 US disclosed