SCHEMBL9750001

SCHEMBL9750001

COC(=O)Cc1ccc2c(c1)OCc1ccccc1C2=CCCN(C)C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.68
LMNA P02545 2/20 0.68
PARP1 P09874 1/20 0.66
HTR2B P41595 5/20 0.62
KCNH2 Q12809 2/20 0.62
ALDH1A1 P00352 2/20 0.62
SLC22A1 O15245 1/20 0.62
CHRM2 P08172 1/20 0.62
CHRM4 P08173 1/20 0.62
HTR1A P08908 1/20 0.62
CHRM5 P08912 1/20 0.62
ADRA2A P08913 1/20 0.62
CHRM1 P11229 1/20 0.62
DRD2 P14416 1/20 0.62
ADRA2B P18089 1/20 0.62
ADRA2C P18825 1/20 0.62
CHRM3 P20309 1/20 0.62
DRD1 P21728 1/20 0.62
DRD4 P21917 1/20 0.62
DRD5 P21918 1/20 0.62

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
SCHEMBL5061720 1.00 HRH1 (0.68) HRH1LMNAPARP1HTR2BKCNH2
SCHEMBL5061538 1.00 HRH1 (0.68) HRH1LMNAPARP1HTR2BKCNH2
SCHEMBL4105413 0.92 HRH1 (0.80) HRH1LMNAPARP1HTR2BKCNH2
SCHEMBL2758646 0.92 HRH1 (0.80) HRH1LMNAPARP1HTR2BKCNH2
SCHEMBL5060399 0.92 HRH1 (0.80) HRH1LMNAPARP1HTR2BKCNH2
Oxalic Acid SCHEMBL4598518 0.90 HRH1 (0.79) HRH1LMNAPARP1KCNH2
SCHEMBL5060800 0.89 HRH1 (0.85) HRH1LMNAPARP1HTR2BKCNH2
SCHEMBL5060799 0.89 HRH1 (0.85) HRH1LMNAPARP1HTR2BKCNH2
SCHEMBL5056598 0.87 HRH1 (0.71) HRH1LMNAPARP1KCNH2
SCHEMBL5066487 0.87 HRH1 (0.71) HRH1LMNAPARP1KCNH2

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-5116863-A Antiallergens, antiinflammatory agents; asthma KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-05-26 US disclosed