SCHEMBL10692231

SCHEMBL10692231

NCCCCCCCCCCOc1c2ccccc2cc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.54
HTR2A P28223 1/20 0.46
SSTR2 P30874 1/20 0.41
SSTR4 P31391 1/20 0.41
HRH1 P35367 1/20 0.40
GPR84 Q9NQS5 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SCN3A Q9NY46 1/20 0.38
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 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
SCHEMBL10694202 1.00 HTR1B (0.54) HTR1BHTR2ASSTR2SSTR4HRH1
SCHEMBL10688833 1.00 HTR1B (0.54) HTR1BHTR2ASSTR2SSTR4HRH1
SCHEMBL10695724 1.00 HTR1B (0.54) HTR1BHTR2ASSTR2SSTR4HRH1
SCHEMBL10694132 1.00 HTR1B (0.54) HTR1BHTR2ASSTR2SSTR4HRH1
SCHEMBL10693528 1.00 HTR1B (0.54) HTR1BHTR2ASSTR2SSTR4HRH1
SCHEMBL10692059 1.00 HTR1B (0.54) HTR1BHTR2ASSTR2SSTR4HRH1
SCHEMBL10692940 1.00 HTR1B (0.54) HTR1BHTR2ASSTR2SSTR4HRH1
SCHEMBL10690407 0.98 HTR1B (0.56) HTR1BHTR2ASSTR2SSTR4GPR84
SCHEMBL10691171 0.94 HTR1B (0.59) HTR1BHTR2AGPR84KDM4E
Phosphoric Acid SCHEMBL10694114 0.89 HTR1B (0.47) HTR1BHTR2AGPR84HDAC3HDAC4

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
US-4792551-A 9-anthryloxyaminoalkanes and related compounds as anti-inflammatory and analgetic agents SYNTEX (U.S.A.) INC. (US) 1988-12-20 US disclosed
EP-0132351-A2 9-Anthryloxyaminoalkanes and related compounds, processes for their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1985-01-30 EP disclosed