SCHEMBL10526089

SCHEMBL10526089

[CH2]C(O)N[C@H](C)CCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.57
OPRK1 P41145 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2C19 P33261 2/20 0.57
TSHR P16473 2/20 0.57
LMNA P02545 1/20 0.57
ADRB2 P07550 1/20 0.57
ADRB1 P08588 1/20 0.57
HTR1A P08908 1/20 0.57
ADRA2A P08913 1/20 0.57
ADRA2B P18089 1/20 0.57
ADRA2C P18825 1/20 0.57
SLC6A2 P23975 1/20 0.57
HTR2A P28223 1/20 0.57
OPRM1 P35372 1/20 0.57
DRD3 P35462 1/20 0.57
HTR2B P41595 1/20 0.57
SLC6A3 Q01959 1/20 0.57
KCNH2 Q12809 1/20 0.57
CYP3A4 P08684 1/20 0.57

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
SCHEMBL10523532 1.00 ADRA1A (0.57) ADRA1AOPRK1CYP1A2CYP2C19TSHR
SCHEMBL13996935 0.81 CYP1A2 (0.55) ADRA1AOPRK1CYP1A2CYP2C19TSHR
SCHEMBL14442995 0.81 CYP1A2 (0.55) ADRA1AOPRK1CYP1A2CYP2C19TSHR
SCHEMBL14442996 0.81 CYP1A2 (0.55) ADRA1AOPRK1CYP1A2CYP2C19TSHR
SCHEMBL8264659 0.77 KMT2A (0.59) ADRA1AOPRK1CYP1A2CYP2C19TSHR
SCHEMBL10014392 0.77 KMT2A (0.59) ADRA1AOPRK1CYP1A2CYP2C19TSHR
SCHEMBL14523334 0.77 KMT2A (0.59) ADRA1AOPRK1CYP1A2CYP2C19TSHR
SCHEMBL5685898 0.76 SIGMAR1 (0.68) ADRA1AOPRK1CYP1A2CYP2C19TSHR
SCHEMBL20847996 0.76 SIGMAR1 (0.68) ADRA1AOPRK1CYP1A2CYP2C19TSHR
SCHEMBL5685881 0.76 SIGMAR1 (0.68) ADRA1AOPRK1CYP1A2CYP2C19TSHR

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
EP-0318889-A2 Method for treatment of dyslipidemia in humans SCHERING CORPORATION (US) 1989-06-07 EP claimed