SCHEMBL6653153

SCHEMBL6653153

CC1(C(=O)C(F)(F)F)CNCCc2cc(OC(F)(F)F)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.38
XIAP P98170 1/20 0.36
BIRC2 Q13490 1/20 0.36
BACE1 P56817 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
CES1 P23141 1/20 0.35
TRPV1 Q8NER1 3/20 0.34
TGM2 P21980 1/20 0.34
CDK7 P50613 1/20 0.34
CCNH P51946 1/20 0.34
MNAT1 P51948 1/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
MMP14 P50281 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 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
SCHEMBL2365631 0.83 DRD2 (0.40) HTR2CESR1ESR2HTR2A
SCHEMBL2477900 0.76 HTR2A (0.58) HTR2CSLC6A2SLC6A4HTR2A
SCHEMBL19469623 0.75 PPARA (0.45) BACE1ESR1ESR2CES1TRPV1
SCHEMBL6650634 0.74 ALDH1A1 (0.39) HTR2CHTR2A
SCHEMBL6532681 0.74 HTR2C (0.49) HTR2CHTR2A
SCHEMBL2368751 0.73 ESR1 (0.41) HTR2CESR1ESR2HTR2A
SCHEMBL6631310 0.71 FGFR4 (0.35) HTR2CHTR2A
SCHEMBL6979583 0.70 PNMT (0.50)
SCHEMBL7979150 0.70 ASIC3 (0.50) HTR2C
SCHEMBL2365900 0.69 HTR2A (0.51) HTR2CSLC6A4HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575149-B2 5HT2C receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
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