SCHEMBL9502286

SCHEMBL9502286

[CH2]c1ccc(CCCCF)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 2/20 0.37
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
TAAR1 Q96RJ0 1/20 0.34
HRH1 P35367 2/20 0.34
ESR1 P03372 2/20 0.34
ADRA2A P08913 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
TACR2 P21452 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
SHBG P04278 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 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
SCHEMBL13388177 0.93 HTR2A (0.38) HTR2AMAOAMAOBTAAR1HRH1
SCHEMBL1533389 0.82 TAAR1 (0.39) HTR2AMAOBTAAR1ESR1ADRA2A
SCHEMBL9553153 0.80 MAOB (0.46) HTR2AMAOAMAOBTAAR1ALDH1A1
SCHEMBL9438646 0.76 CA2 (0.52) MAOBESR1ADRA2AADORA3TACR2
SCHEMBL1101345 0.76 ESR1 (0.59) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL6688780 0.76 MAOB (0.64) HTR2AMAOAMAOBTAAR1ALDH1A1
SCHEMBL15554122 0.76 ESR1 (0.39) HTR2AMAOBHRH1ESR1ADRA2A
SCHEMBL3038222 0.76 HTR2A (0.39) HTR2AMAOAMAOBS1PR1S1PR3
SCHEMBL3038224 0.76 ESR1 (0.59) TAAR1ESR1ADRA2AADORA3TACR2
SCHEMBL10952838 0.76 GFER (0.47) HTR2AMAOAMAOBTAAR1ESR1

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-0273444-B1 USE OF CARBOXAMIDE COMPOUNDS FOR THE PREPARATION OF A MEDICAMENT FOR TREATING HYPERLIPIDEMIA OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1993-05-05 EP disclosed
US-5081112-A Administering an aryl phosphonate carboxamide OTSUKA PHARMACEUTICAL FACTORY INC. (JP) 1992-01-14 US disclosed
EP-0273444-A2 Use of carboxamide compounds for the preparation of a medicament for treating hyperlipidemia OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1988-07-06 EP disclosed