SCHEMBL11547331

SCHEMBL11547331

CC(C)OC(=O)Nc1c(Cl)cc(C(O)CNC(C)(C)C)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.56
ADRB2 P07550 4/20 0.56
ADRB1 P08588 3/20 0.56
TSHR P16473 2/20 0.56
HTR1A P08908 1/20 0.56
SLC6A2 P23975 1/20 0.56
SLC6A4 P31645 1/20 0.56
ADRA1A P35348 1/20 0.56
OPRK1 P41145 1/20 0.56
SLC6A3 Q01959 1/20 0.56
CYP3A4 P08684 2/20 0.54
KDM4E B2RXH2 2/20 0.54
HIF1A Q16665 3/20 0.47
CASP7 P55210 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2D6 P10635 3/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL11246364 0.90 LMNA (0.61) LMNAADRB2ADRB1TSHRHTR1A
SCHEMBL11546319 0.85 LMNA (0.56) LMNAADRB2ADRB1TSHRHTR1A
Hydrochloric Acid SCHEMBL11546316 0.84 LMNA (0.56) LMNAADRB2ADRB1TSHRHTR1A
SCHEMBL11549870 0.83 LMNA (0.53) LMNAADRB2ADRB1TSHRHTR1A
SCHEMBL11553940 0.83 LMNA (0.53) LMNAADRB2ADRB1TSHRHTR1A
SCHEMBL10918755 0.83 LMNA (0.62) LMNAADRB2ADRB1TSHRHTR1A
SCHEMBL11547363 0.82 LMNA (0.52) LMNAADRB2ADRB1TSHRHTR1A
SCHEMBL11598687 0.82 LMNA (0.65) LMNAADRB2ADRB1TSHRHTR1A
Hydrochloric Acid SCHEMBL11547356 0.81 LMNA (0.53) LMNAADRB2ADRB1TSHRHTR1A
Acetic Acid SCHEMBL10617362 0.81 LMNA (0.59) LMNAADRB2ADRB1TSHRHTR1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4063025-A PROPHYLAXIS, ANTIASTHMATIC YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1977-12-13 US claimed
US-4145363-A ANTIASTHMATICS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1979-03-20 US disclosed
US-4063025-A PROPHYLAXIS, ANTIASTHMATIC YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1977-12-13 US disclosed