SCHEMBL2012666

SCHEMBL2012666

NCCc1cc(Cl)c2ccccc2c1-c1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 9/20 0.47
HTR2A P28223 3/20 0.38
NT5E P21589 1/20 0.36
MPO P05164 2/20 0.36
SLC6A4 P31645 1/20 0.36
ADORA2A P29274 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
MAOB P27338 3/20 0.35
HTR1A P08908 1/20 0.35
KMT2A Q03164 1/20 0.35
ICMT O60725 1/20 0.34

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
SCHEMBL2015154 0.85 TAAR1 (0.41) TAAR1NT5E
SCHEMBL2015779 0.82 PIK3CD (0.44) TAAR1HTR1AKMT2A
SCHEMBL2015782 0.80 NT5E (0.36) TAAR1NT5EADORA2AKMT2AICMT
SCHEMBL2013334 0.79 TAAR1 (0.48) TAAR1HTR2AMPOSLC6A4ADORA2A
SCHEMBL12491178 0.79 BCL2 (0.47) TAAR1HTR2ANT5EMPOTRPM8
SCHEMBL2017066 0.79 TAAR1 (0.43) TAAR1NT5EMAOB
SCHEMBL2013052 0.78 TAAR1 (0.47) TAAR1HTR2ANT5EADORA2AMAOB
SCHEMBL9952729 0.75 PIK3CD (0.44) TAAR1ADORA2AKMT2A
SCHEMBL9953794 0.74 TAAR1 (0.40) TAAR1ICMT
SCHEMBL9953176 0.73 LMNA (0.39) TAAR1KMT2A

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-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO disclosed