SCHEMBL5612854

SCHEMBL5612854

COc1nc2c(cc1Br)C(C)CCNC2

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 13/20 0.38
HTR2A P28223 11/20 0.38
HTR2B P41595 8/20 0.38
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL5593821 0.83 HTR2A (0.38) HTR2CHTR2AHTR2B
SCHEMBL5613036 0.81 HTR2A (0.34) HTR2CHTR2AHTR2B
SCHEMBL5612907 0.80
SCHEMBL5613118 0.78 TXNRD1 (0.33)
SCHEMBL2080687 0.78 HTR2C (0.57) HTR2CHTR2AHTR2B
SCHEMBL2077241 0.78 HTR2C (0.57) HTR2CHTR2AHTR2B
SCHEMBL2080121 0.78 HTR2C (0.57) HTR2CHTR2AHTR2B
SCHEMBL5612794 0.74
SCHEMBL5613205 0.72 DRD2 (0.43) HTR2CHTR2AHTR2B
SCHEMBL2078422 0.72 HTR2C (0.38) HTR2CHTR2AHTR2B

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