SCHEMBL5728699

SCHEMBL5728699

CCCc1cccc(C(=O)Nc2cc(C)ccc2O)c1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 8/20 0.56
▸ GAA P10253 5/20 0.53
▸ RAB9A P51151 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ MAPT P10636 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HTT P42858 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 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
SCHEMBL5728705 0.83 KCNMA1 (0.56) KCNMA1GAARAB9ALMNATSHR
SCHEMBL24460251 0.78 LMNA (0.52) KCNMA1GAARAB9ALMNATSHR
SCHEMBL14363390 0.73 KCNMA1 (0.66) KCNMA1GAARAB9ALMNATSHR
SCHEMBL4928655 0.72 KCNMA1 (0.70) KCNMA1GAARAB9ALMNATSHR
SCHEMBL4923998 0.71 KCNMA1 (0.60) KCNMA1GAARAB9ALMNATSHR
SCHEMBL2605540 0.70 KCNMA1 (0.82) KCNMA1GAARAB9ATSHRSMN1; SMN2
SCHEMBL30742732 0.70 MAPT (0.42) LMNATSHRHSD17B10MAPTKMT2A
SCHEMBL5685695 0.70 MAPT (0.42) LMNATSHRHSD17B10MAPTKMT2A
SCHEMBL5135887 0.70 G6PD (0.56) LMNA
SCHEMBL5727470 0.70 ALDH1A1 (0.51) LMNAALDH1A1CYP1A2CYP3A4CYP2D6

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-1633715-A1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS Pfizer Limited (GB) 2006-03-15 — — EP claimed
WO-2004108676-A1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS PFIZER LIMITED (GB) 2004-12-16 — — WO claimed
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