SCHEMBL9035262

SCHEMBL9035262

COc1ccc(N(C(=O)c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1N1CCN(C)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.53
HTR2C P28335 4/20 0.53
HTR1D P28221 4/20 0.53
HTR1B P28222 4/20 0.53
HTR2A P28223 4/20 0.53
HTR1A P08908 3/20 0.53
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HTR7 P34969 2/20 0.46
LMNA P02545 1/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43

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
SCHEMBL6808869 0.78 HTR1D (0.50) HTR6HTR2CHTR1DHTR1BHTR2A
SCHEMBL6812001 0.78 HTR1D (0.53) HTR6HTR2CHTR1DHTR1BHTR2A
SCHEMBL8705195 0.76 HTR1D (0.70) HTR6HTR2CHTR1DHTR1BHTR2A
SCHEMBL4336114 0.76 HTR3E (0.69) HTR6HTR2CHTR1DHTR1BHTR2A
SCHEMBL6812249 0.76 MCHR1 (0.61) HTR6HTR2CHTR1DHTR1BHTR2A
SCHEMBL7883944 0.74 POLB (0.55) HTR6HTR2CHTR1DHTR1BHTR2A
SCHEMBL5827458 0.74 HTR1D (0.55) HTR6HTR2CHTR1DHTR1BHTR2A
SCHEMBL6817253 0.73 HTR1A (0.53) HTR6HTR2CHTR1DHTR1BHTR2A
4-Chloro-Benzoic Acid SCHEMBL9035256 0.73 HTR1D (0.66) HTR6HTR2CHTR1DHTR1BHTR2A
SCHEMBL8986030 0.73 HTR1D (0.57) HTR6HTR2CHTR1DHTR1BHTR2A

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-0712397-A1 AMIDE DERIVATIVES AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-05-22 EP disclosed
WO-1995004729-A1 AMIDE DERIVATIVES AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-02-16 WO disclosed