SCHEMBL9626512

SCHEMBL9626512

CCc1ccc(Cl)cc1OCC(O)CNC(C)(C)CNc1ccc(C2=NNC(=O)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.42
ADRB2 P07550 3/20 0.38
ADRB1 P08588 3/20 0.38
HTR1A P08908 2/20 0.38
OPRK1 P41145 1/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
CYP2D6 P10635 1/20 0.37
KMT2A Q03164 1/20 0.36
ADRB3 P13945 2/20 0.35
PDE3B Q13370 2/20 0.35
KCNH2 Q12809 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE3A Q14432 1/20 0.35
TSHR P16473 1/20 0.33

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
SCHEMBL9626518 1.00 SLC2A1 (0.42) SLC2A1ADRB2ADRB1HTR1AOPRK1
SCHEMBL9462359 0.92 SLC2A1 (0.46) SLC2A1ADRB2ADRB1HTR1AOPRK1
SCHEMBL9462848 0.92 SLC2A1 (0.46) SLC2A1ADRB2ADRB1HTR1AOPRK1
SCHEMBL9462328 0.91 ADRB2 (0.39) SLC2A1ADRB2ADRB1HTR1AOPRK1
SCHEMBL9462614 0.91 SLC2A1 (0.43) SLC2A1ADRB2ADRB1HTR1AOPRK1
SCHEMBL9462609 0.91 SLC2A1 (0.43) SLC2A1ADRB2ADRB1HTR1AOPRK1
SCHEMBL9462487 0.89 SLC2A1 (0.41) SLC2A1ADRB2ADRB1HTR1AOPRK1
SCHEMBL9462305 0.89 SLC2A1 (0.41) SLC2A1ADRB2ADRB1HTR1AOPRK1
SCHEMBL9656783 0.87 PDE3B (0.44) SLC2A1MAPTLMNACYP2D6PDE3B
SCHEMBL9463196 0.85 SLC2A1 (0.41) SLC2A1ADRB2ADRB1HTR1AOPRK1

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-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