SCHEMBL8411765

SCHEMBL8411765

COc1cc(Br)c(OC)c2c1CCNC2

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.46
HTR2C P28335 6/20 0.46
HTR2B P41595 4/20 0.46
PNMT P11086 1/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR6 P50406 1/20 0.37

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
SCHEMBL8407021 0.82 PNMT (0.40) HTR2AHTR2CHTR2BPNMTHTR6
SCHEMBL5447372 0.77 KDM4E (0.46) HTR2AHTR2CHTR2BPNMTHTR6
SCHEMBL16518081 0.73 KDM4E (0.46) HTR2AHTR2CHTR2BPNMT
SCHEMBL6191941 0.73 HTR2C (0.51) HTR2AHTR2CHTR2BPNMTHTR6
SCHEMBL29507128 0.72 HTR2C (0.47) HTR2AHTR2CHTR2BPNMT
SCHEMBL22858683 0.72 HTR2C (0.51) HTR2AHTR2CHTR2BPNMT
SCHEMBL22858977 0.72 HTR2C (0.47) HTR2AHTR2CHTR2BPNMT
SCHEMBL29608060 0.72 HTR2C (0.51) HTR2AHTR2CHTR2BPNMT
SCHEMBL16210365 0.72 KMT2A (0.46) HTR2AHTR2CHTR2BHTR6
SCHEMBL4012914 0.72 CHRM3 (0.39) HTR2AHTR2CHTR2BPNMT

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-5919794-A Methods of using pharmaceutical tetrahydroisoquinolines VIRGINIA COMMONWEALTH UNIVERSITY (US) 1999-07-06 US disclosed