SCHEMBL6655706

SCHEMBL6655706

COc1ccc2c(c1)CCNCC2(Br)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.48
HTR2B P41595 4/20 0.48
HTR2A P28223 1/20 0.48
ADRA2A P08913 3/20 0.40
KDM1A O60341 1/20 0.39
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
HTR7 P34969 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
RECQL P46063 1/20 0.36
PMP22 Q01453 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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 0.79 HTR2C (0.53) HTR2CHTR2BHTR2AADRA2AKDM1A
SCHEMBL30468465 0.77 ADRA2A (0.49) HTR2CHTR2BHTR2AADRA2AKDM1A
SCHEMBL1904887 0.76 HTR2C (0.48) HTR2CHTR2BHTR2AADRA2AKDM1A
SCHEMBL6651372 0.76 HTR2C (0.48) HTR2CHTR2BHTR2AADRA2AKDM1A
SCHEMBL25438091 0.73 KDM1A (0.43) HTR2CHTR2BHTR2AADRA2AKDM1A
SCHEMBL225918 0.72 HTR2C (0.60) HTR2CHTR2BHTR2AADRA2AADRA2B
SCHEMBL31317936 0.72 HTR2C (0.60) HTR2CHTR2BHTR2AADRA2AADRA2B
SCHEMBL16694747 0.72 KDM1A (0.41) HTR2CHTR2BHTR2AADRA2AKDM1A
SCHEMBL2501566 0.71 KDM1A (0.52) HTR2CHTR2BHTR2AADRA2AKDM1A
Hydrochloric Acid SCHEMBL3694891 0.71 HTR2C (0.58) HTR2CHTR2BHTR2AADRA2AADRA2B

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