SCHEMBL8260985

SCHEMBL8260985

CC1C2CNCC1Cc1ccccc1C2

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.43
HTR2C P28335 6/20 0.43
HTR2B P41595 6/20 0.43
BPTF Q12830 1/20 0.39
SLC6A4 P31645 2/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39

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
SCHEMBL3886031 0.86 BPTF (0.45) HTR2AHTR2CHTR2BBPTFSLC6A4
SCHEMBL3886029 0.86 BPTF (0.45) HTR2AHTR2CHTR2BBPTFSLC6A4
SCHEMBL3887869 0.86 BPTF (0.45) HTR2AHTR2CHTR2BBPTFSLC6A4
SCHEMBL3886033 0.86 BPTF (0.45) HTR2AHTR2CHTR2BBPTFSLC6A4
SCHEMBL3886540 0.72 ADRA2A (0.39) HTR2AHTR2CHTR2B
SCHEMBL1897659 0.71 HTR2C (0.59) HTR2AHTR2CHTR2BCHRNB2CHRNA4
SCHEMBL9278829 0.71 HTR2C (0.59) HTR2AHTR2CHTR2BCHRNB2CHRNA4
Hydrochloric Acid SCHEMBL9672275 0.69 HTR2C (0.57) HTR2AHTR2CHTR2BCHRNB2CHRNA4
SCHEMBL3019601 0.69 BPTF (0.48) HTR2AHTR2CHTR2BBPTFCHRNB2
SCHEMBL12635734 0.68 PNMT (0.43) HTR2AHTR2C

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-2006097293-A2 COMBINATION OF A STEROID SULFATASE INHIBITOR AND AN ASCOMYCIN NOVARTIS AG (CH) 2006-09-21 WO disclosed