SCHEMBL10407585

SCHEMBL10407585

COc1ccc2c(c1)C(CCBr)CCO2

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.54
ENPP2 Q13822 1/20 0.46
MTNR1A P48039 6/20 0.46
MTNR1B P49286 6/20 0.46
HTR2B P41595 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
HTR7 P34969 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
KCNH2 Q12809 2/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
NQO2 P16083 5/20 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
SCHEMBL9014302 0.92 HTR1A (0.47) HTR1AENPP2MTNR1AMTNR1BHTR2B
SCHEMBL5479142 0.86 HTR1A (0.54) HTR1AENPP2MTNR1AMTNR1BHTR2B
SCHEMBL5173384 0.80 HTR1A (0.48) HTR1AENPP2MTNR1AMTNR1BHTR2B
SCHEMBL5175500 0.80 HTR1A (0.56) HTR1AENPP2MTNR1AMTNR1BHTR2B
SCHEMBL5229125 0.80 HTR1A (0.53) HTR1AENPP2MTNR1AMTNR1BHTR2B
SCHEMBL9669326 0.80 HTR1A (0.58) HTR1AENPP2MTNR1AMTNR1BHTR2B
SCHEMBL5223857 0.79 MTNR1A (0.72) HTR1AMTNR1AMTNR1BNQO2
SCHEMBL10408558 0.78 MAP3K14 (0.45) HTR1AMTNR1AMTNR1BKCNH2DRD2
SCHEMBL10407837 0.78 DRD3 (0.39) HTR1AMTNR1AMTNR1BDRD2DRD3
SCHEMBL10407574 0.78 ADRA2A (0.36) HTR1AMTNR1AMTNR1BKCNH2DRD2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4977166-A ANTIARRHYTHMIC AND ANTIFIBRILLATORY AGENTS RHONE-POULENC SANTE (FR) 1990-12-11 US disclosed