SCHEMBL9749546

SCHEMBL9749546

COC(=O)c1ccc2c(c1)C(=CCCN(C)C)c1ccccc1CO2

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 4/20 0.67
▸ LMNA P02545 2/20 0.67
▸ PARP1 P09874 1/20 0.66
▸ KCNH2 Q12809 2/20 0.65
▸ HTR2B P41595 2/20 0.65
▸ SLC22A1 O15245 1/20 0.65
▸ CHRM2 P08172 1/20 0.65
▸ CHRM4 P08173 1/20 0.65
▸ HTR1A P08908 1/20 0.65
▸ CHRM5 P08912 1/20 0.65
▸ ADRA2A P08913 1/20 0.65
▸ CHRM1 P11229 1/20 0.65
▸ DRD2 P14416 1/20 0.65
▸ ADRA2B P18089 1/20 0.65
▸ ADRA2C P18825 1/20 0.65
▸ CHRM3 P20309 1/20 0.65
▸ DRD1 P21728 1/20 0.65
▸ DRD4 P21917 1/20 0.65
▸ DRD5 P21918 1/20 0.65
▸ SLC6A2 P23975 1/20 0.65

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
SCHEMBL5066512 1.00 HRH1 (0.67) HRH1LMNAPARP1KCNH2HTR2B
SCHEMBL5060455 1.00 HRH1 (0.67) HRH1LMNAPARP1KCNH2HTR2B
SCHEMBL30783267 1.00 HRH1 (0.67) HRH1LMNAPARP1KCNH2HTR2B
SCHEMBL5061666 0.94 HRH1 (0.60) HRH1LMNAPARP1
SCHEMBL9750054 0.94 HRH1 (0.60) HRH1LMNAPARP1
SCHEMBL5060511 0.94 HRH1 (0.60) HRH1LMNAPARP1
SCHEMBL9749424 0.90 HRH1 (0.65) HRH1LMNAKCNH2HTR2BSLC22A1
SCHEMBL5064807 0.90 HRH1 (0.65) HRH1LMNAKCNH2HTR2BSLC22A1
SCHEMBL9750385 0.90 HRH1 (0.55) HRH1LMNAPARP1
SCHEMBL5056419 0.90 HRH1 (0.65) HRH1LMNAKCNH2HTR2BSLC22A1

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
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