SCHEMBL175009

SCHEMBL175009

CC1(OC(=O)c2cc(=O)[nH]c(=O)[nH]2)CNCCc2ccc(Cl)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.48
HTR2C P28335 7/20 0.48
CYP1A2 P05177 1/20 0.40
HTR2B P41595 6/20 0.35
GPR84 Q9NQS5 1/20 0.34
PNMT P11086 1/20 0.33
ADRB1 P08588 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CNR1 P21554 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
HRH1 P35367 1/20 0.33
KCNH2 Q12809 1/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
NPC1 O15118 1/20 0.32
MEN1 O00255 2/20 0.32

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
SCHEMBL170985 1.00 HTR2A (0.48) HTR2AHTR2CCYP1A2HTR2BGPR84
SCHEMBL174877 0.87 CYP1A2 (0.42) HTR2AHTR2CCYP1A2HTR2BGPR84
SCHEMBL174234 0.78 HTR2A (0.57) HTR2AHTR2CHTR2BPNMTADRB1
SCHEMBL173952 0.78 HTR2A (0.57) HTR2AHTR2CHTR2BPNMTADRB1
SCHEMBL168506 0.78 HTR2A (0.57) HTR2AHTR2CHTR2BPNMTADRB1
SCHEMBL173622 0.78 HTR2A (0.57) HTR2AHTR2CHTR2BPNMTADRB1
SCHEMBL171105 0.77 HTR2A (0.56) HTR2AHTR2CHTR2BPNMTADRB1
SCHEMBL28756453 0.77 HTR2A (0.56) HTR2AHTR2CHTR2BPNMTADRB1
SCHEMBL174466 0.76 HTR2A (0.54) HTR2AHTR2CHTR2BPNMTADRB1
SCHEMBL173414 0.72 HTR2A (0.58) HTR2AHTR2CHTR2BPNMTADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611427-A2 MODIFIED-RELEASE DOSAGE FORMS OF 5-HT2C AGONISTS USEFUL FOR WEIGHT MANAGEMENT& xA; Arena Pharmaceuticals, Inc. (US) 2013-07-10 EP disclosed
WO-2012030927-A2 MODIFIED-RELEASE DOSAGE FORMS OF 5-HT2C AGONISTS USEFUL FOR WEIGHT MANAGEMENT ARENA PHARMACEUTICALS, INC. (US) 2012-03-08 WO disclosed