SCHEMBL6651372

SCHEMBL6651372

COc1ccc2c(c1)CCNCC2(C)Cl

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.48
HTR2A P28223 2/20 0.48
HTR2B P41595 1/20 0.48
ADRA2A P08913 2/20 0.42
KDM1A O60341 1/20 0.42
DRD2 P14416 3/20 0.39
DRD1 P21728 3/20 0.39
DRD5 P21918 3/20 0.39
DRD3 P35462 3/20 0.39
DRD4 P21917 1/20 0.38
KCNH2 Q12809 1/20 0.38
RYR2 Q92736 1/20 0.38
PARP1 P09874 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
SCHEMBL29051650 0.85 HTR2C (0.53) HTR2CHTR2AHTR2BADRA2AKDM1A
SCHEMBL1904887 0.82 HTR2C (0.48) HTR2CHTR2AHTR2BADRA2AKDM1A
SCHEMBL30468465 0.81 ADRA2A (0.49) HTR2CHTR2AHTR2BADRA2AKDM1A
SCHEMBL15194128 0.80 ADRA2A (0.64) HTR2CHTR2AADRA2A
SCHEMBL15194127 0.80 ADRA2A (0.64) HTR2CHTR2AADRA2A
SCHEMBL6655706 0.76 HTR2C (0.48) HTR2CHTR2AHTR2BADRA2AKDM1A
SCHEMBL173319 0.76 HTR2A (0.51) HTR2CHTR2AHTR2BKDM1ADRD2
SCHEMBL225918 0.76 HTR2C (0.60) HTR2CHTR2AHTR2BADRA2ADRD2
SCHEMBL31317936 0.76 HTR2C (0.60) HTR2CHTR2AHTR2BADRA2ADRD2
SCHEMBL22145508 0.75 KDM1A (0.46) HTR2CHTR2AHTR2BADRA2AKDM1A

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