SCHEMBL9736392

SCHEMBL9736392

COc1ccc(CCNCC(O)COC(Cc2cnn(C)c2)C(=O)c2ccccc2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 12/20 0.60
ADRB1 P08588 11/20 0.60
ADRB3 P13945 10/20 0.60
ATM Q13315 1/20 0.51
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 2/20 0.47
OXTR P30559 1/20 0.47
AVPR1A P37288 1/20 0.47
HTT P42858 1/20 0.47
HTR1A P08908 1/20 0.46
ADRA2C P18825 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
HTR2B P41595 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KCNH2 Q12809 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
Hydrochloric Acid SCHEMBL10829715 0.87 ADRB2 (0.69) ADRB2ADRB1ADRB3ATMKMT2A
Hydrochloric Acid SCHEMBL10829910 0.82 ADRB2 (0.61) ADRB2ADRB1ADRB3ATMKMT2A
SCHEMBL10830172 0.82 ADRB2 (0.60) ADRB2ADRB1ADRB3ATMKMT2A
SCHEMBL9735783 0.81 ADRB2 (0.62) ADRB2ADRB1ADRB3ATMKMT2A
Hydrochloric Acid SCHEMBL10830725 0.81 ADRB2 (0.59) ADRB2ADRB1ADRB3ATMKMT2A
SCHEMBL9742031 0.81 OPRM1 (0.41) ADRB2ADRB1ADRB3KMT2AMEN1
SCHEMBL9736504 0.81 OPRM1 (0.40) ADRB2ADRB1ADRB3KMT2AMEN1
SCHEMBL9737525 0.80 KDM4E (0.38) ADRB2ADRB1ADRB3KMT2AMEN1
SCHEMBL9735739 0.77 OPRM1 (0.37) KMT2AMEN1KCNH2
SCHEMBL9735615 0.75 LMNA (0.44) ADRB2ADRB1ADRB3KMT2AMEN1

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-5118685-A Antiarrhythmia agents BASF AKTIENGESELLSCHAFT (DE) 1992-06-02 US disclosed