SCHEMBL27730677

SCHEMBL27730677

COC(=O)C1(c2ccc(CCBr)cc2)CCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.56
CHRM2 P08172 4/20 0.44
CHRM1 P11229 4/20 0.44
ALDH1A1 P00352 7/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PRCP P42785 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
KDM4E B2RXH2 2/20 0.41
SLC22A1 O15245 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
THRB P10828 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL27700861 0.94 HRH3 (0.49) HRH3CHRM2CHRM1ALDH1A1LMNA
SCHEMBL1407574 0.88 HRH3 (0.52) HRH3CHRM2CHRM1ALDH1A1LMNA
SCHEMBL29262953 0.83 HRH3 (0.53) HRH3ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL480053 0.81 HRH3 (0.45) HRH3ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3054538 0.80 HDAC1 (0.50) HRH3CHRM2CHRM1ALDH1A1LMNA
SCHEMBL3049424 0.78 HDAC1 (0.51) HRH3CHRM2CHRM1ALDH1A1LMNA
SCHEMBL23163646 0.78 HRH3 (0.47) HRH3ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3485457 0.78 MAPT (0.54) HRH3ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL7200882 0.78 HRH3 (0.48) HRH3ALDH1A1SMN1; SMN2THRBPOLB
SCHEMBL23582666 0.78 HRH3 (0.48) HRH3CHRM1ALDH1A1LMNASMN1; SMN2

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
CN-101213194-A Indazoles useful in treating cardiovascular diseases WYETH CORP (US) 2008-07-02 CN disclosed