SCHEMBL6631355

SCHEMBL6631355

CCC1Cc2cc(Br)c(OC)cc2CCN1C(=O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 2/20 0.46
MTNR1A P48039 1/20 0.42
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
LMNA P02545 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GRIN2C Q14957 1/20 0.38
TSHR P16473 1/20 0.37
MAPK1 P28482 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
SCHEMBL1905475 0.80 ESR1 (0.59) MTNR1BMTNR1AKMT2ALMNAESR1
SCHEMBL16417004 0.76 ESR1 (0.62) KMT2AMEN1ESR1ESR2GAA
SCHEMBL1096119 0.73 HTR2C (0.50) MTNR1BMTNR1AKMT2AMEN1LMNA
SCHEMBL6635416 0.73 MTNR1B (0.38) MTNR1BMTNR1AKMT2AMEN1LMNA
SCHEMBL6631057 0.72 HTR2A (0.45) MTNR1BMTNR1AKMT2AMEN1LMNA
SCHEMBL1095709 0.69 HTR2C (0.43) MTNR1BMTNR1AKMT2AHTR2AHTR2C
SCHEMBL4936397 0.69 HTR2C (0.48) MTNR1BMTNR1AKMT2ALMNAHTR2A
SCHEMBL1094838 0.69 HTR2C (0.48) MTNR1BMTNR1AKMT2ALMNAHTR2A
SCHEMBL4936392 0.69 HTR2C (0.48) MTNR1BMTNR1AKMT2ALMNAHTR2A
SCHEMBL10350524 0.69 HTR2A (0.54) MTNR1BMTNR1AKMT2AMEN1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1411881-A4 5HT sb 2C /sb RECEPTOR MODULATORS ARENA PHARM INC (US) 2004-07-07 EP disclosed
EP-1411881-A2 5HT sb 2C /sb RECEPTOR MODULATORS Arena Pharmaceuticals, Inc. (US) 2004-04-28 EP disclosed
WO-2003086306-A2 5HT2C RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. (US) 2003-10-23 WO disclosed