SCHEMBL9700562

SCHEMBL9700562

COc1ccc(CCNC[C@H](O)COc2ccc(NNC(c3ccccc3)(c3ccccc3)c3ccccc3)nn2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 6/20 0.53
ADRB1 P08588 4/20 0.53
ADRB3 P13945 2/20 0.53
HTR1A P08908 1/20 0.52
ADRA2C P18825 1/20 0.52
SLC6A4 P31645 1/20 0.52
ADRA1A P35348 1/20 0.52
HTR2B P41595 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KCNH2 Q12809 1/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
KDM4E B2RXH2 1/20 0.51
ATM Q13315 1/20 0.49

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
SCHEMBL9700545 1.00 ADRB2 (0.53) ADRB2ADRB1ADRB3HTR1AADRA2C
Hydrochloric Acid SCHEMBL9700517 0.83 KMT2A (0.61) ADRB2ADRB1ADRB3HTR1AADRA2C
Hydrochloric Acid SCHEMBL10568844 0.80 ADRB2 (0.51) ADRB2ADRB1ADRB3HTR1AADRA2C
Hydrochloric Acid SCHEMBL9700715 0.80 ADRB2 (0.51) ADRB2ADRB1ADRB3HTR1AADRA2C
Hydrochloric Acid SCHEMBL9700719 0.80 ADRB2 (0.51) ADRB2ADRB1ADRB3HTR1AADRA2C
Hydrochloric Acid SCHEMBL9700538 0.80 ADRB2 (0.51) ADRB2ADRB1ADRB3HTR1AADRA2C
Dramedilol SCHEMBL2109623 0.80 KMT2A (0.55) ADRB2ADRB1ADRB3HTR1AADRA2C
Dramedilol SCHEMBL9699524 0.79 KMT2A (0.56) ADRB2ADRB1ADRB3HTR1AADRA2C
Dramedilol SCHEMBL9700551 0.79 KMT2A (0.56) ADRB2ADRB1ADRB3HTR1AADRA2C
Hydrochloric Acid SCHEMBL9700595 0.77 KMT2A (0.54) ADRB2ADRB1ADRB3HTR1AADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5082939-A Pyridazine derivatives I.S.F. SOCIETA PER AZIONI (IT) 1992-01-21 US disclosed
US-4873328-A Process for preparing alkoxyalkylidenehydrazinopyridazine derivatives I.S.F. SOCIETA PER AZIONI (IT) 1989-10-10 US disclosed