SCHEMBL5612831

SCHEMBL5612831

CC1CCNCc2nc(Cl)c(Br)cc21

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.33
HTR2A P28223 4/20 0.33
HTR2B P41595 4/20 0.33
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL5604265 0.82 HTR2C (0.31) HTR2CHTR2AHTR2B
SCHEMBL5612854 0.80 HTR2C (0.38) HTR2CHTR2AHTR2B
SCHEMBL2077267 0.77 HTR2A (0.51) HTR2CHTR2AHTR2B
SCHEMBL5593821 0.69 HTR2A (0.38) HTR2CHTR2AHTR2B
SCHEMBL5613083 0.68 USP7 (0.33) HTR2CHTR2AHTR2B
SCHEMBL31180171 0.68 HTR2C (0.43) HTR2CHTR2A
SCHEMBL5613036 0.67 HTR2A (0.34) HTR2CHTR2AHTR2B
SCHEMBL5612907 0.66
SCHEMBL5613205 0.66 DRD2 (0.43) HTR2CHTR2AHTR2B
SCHEMBL5613118 0.64 TXNRD1 (0.33)

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-2007140213-A1 PYRIDOAZEPINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2007-12-06 WO disclosed