SCHEMBL9626468

SCHEMBL9626468

CC(C)(CNc1ccc(C2=NNC(=O)CC2)cc1)NCC(O)COc1cc(C#N)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 9/20 0.38
CYP2D6 P10635 7/20 0.38
ADRB2 P07550 6/20 0.38
SLC6A2 P23975 5/20 0.38
SLC6A4 P31645 5/20 0.38
SLC6A3 Q01959 5/20 0.38
KCNH2 Q12809 5/20 0.38
SLC2A1 P11166 1/20 0.37
HTR1A P08908 2/20 0.37
ADRB1 P08588 1/20 0.37
OPRK1 P41145 1/20 0.37
MAPT P10636 2/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
MAOA P21397 1/20 0.35
HTR2B P41595 1/20 0.35

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
SCHEMBL9462437 1.00 CASR (0.38) CASRCYP2D6ADRB2SLC6A2SLC6A4
SCHEMBL9462848 0.90 SLC2A1 (0.46) CASRADRB2SLC6A4KCNH2SLC2A1
SCHEMBL9462359 0.90 SLC2A1 (0.46) CASRADRB2SLC6A4KCNH2SLC2A1
SCHEMBL9463196 0.89 SLC2A1 (0.41) CASRADRB2SLC6A4KCNH2SLC2A1
SCHEMBL9463189 0.89 SLC2A1 (0.41) CASRADRB2SLC6A4KCNH2SLC2A1
SCHEMBL10568580 0.87 KDM4E (0.43) CASRCYP2D6ADRB2SLC6A2SLC6A4
SCHEMBL9462681 0.87 SLC2A1 (0.38) CASRADRB2SLC6A4KCNH2SLC2A1
SCHEMBL9462679 0.87 SLC2A1 (0.38) CASRADRB2SLC6A4KCNH2SLC2A1
SCHEMBL9462487 0.87 SLC2A1 (0.41) CASRCYP2D6ADRB2SLC6A2SLC6A4
SCHEMBL9462326 0.87 CASR (0.52) CASRCYP2D6ADRB2SLC6A2SLC6A4

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-5130314-A Hypotensive agents TEIKOKU HORMONE MFG. CO., LTD. (JP) 1992-07-14 US disclosed
US-5082844-A Hypotensive TEIKOKU HORMONE MFG. CO., LTD. (JP) 1992-01-21 US disclosed
EP-0404050-A1 Pyridazinone derivatives TEIKOKU HORMONE MFG. CO., LTD. (JP) 1990-12-27 EP disclosed