SCHEMBL13283736

SCHEMBL13283736

CC1CCc2ccc(Br)cc2N1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 10/20 0.50
▸ ADRA2A P08913 4/20 0.50
▸ ADRA2B P18089 3/20 0.50
▸ ADRA2C P18825 3/20 0.50
▸ HTR2A P28223 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ ASIC3 Q9UHC3 1/20 0.42
▸ CMA1 P23946 1/20 0.41
▸ AHR P35869 1/20 0.41
▸ AR P10275 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PKM P14618 1/20 0.38

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
SCHEMBL31511298 0.87 PNMT (0.45) PNMTADRA2AADRA2BADRA2CHTR2A
SCHEMBL17018035 0.87 PNMT (0.45) PNMTADRA2AADRA2BADRA2CHTR2A
SCHEMBL16585592 0.87 PNMT (0.45) PNMTADRA2AADRA2BADRA2CHTR2A
SCHEMBL24359176 0.79 HTR5A (0.39) HTR2AHTR2CHTR2BAR
SCHEMBL10991106 0.79 HTR5A (0.39) HTR2AHTR2CHTR2BAR
SCHEMBL3726820 0.78 ESR2 (0.46) —
SCHEMBL4102066 0.78 HTR2C (0.44) HTR2AHTR2CHTR2BAR
SCHEMBL3118450 0.78 KDM4E (0.47) HTR2AARLMNA
SCHEMBL4130897 0.75 MTNR1A (0.45) —
SCHEMBL424121 0.75 MTNR1A (0.45) —

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-2010080478-A1 COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2010-07-15 — — WO disclosed
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