SCHEMBL14899768

SCHEMBL14899768

Cc1cc(F)cc(-n2ncc(N3CCNCC3)c(OC3C(F)c4ccccc4C3F)c2=O)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 4/20 0.35
▸ HTR1A P08908 3/20 0.35
▸ HTR1D P28221 2/20 0.35
▸ HTR2A P28223 2/20 0.35
▸ HTR7 P34969 2/20 0.35
▸ HTR2B P41595 2/20 0.35
▸ HTR1B P28222 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ SLC2A1 P11166 1/20 0.34
▸ SLC2A3 P11169 1/20 0.34
▸ MCHR1 Q99705 2/20 0.34
▸ NPBWR1 P48145 1/20 0.34
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ KMT2A Q03164 2/20 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
SCHEMBL17058303 0.94 HTR1A (0.38) HTR6HTR1AHTR1DHTR2AHTR7
SCHEMBL17057920 0.83 MCHR1 (0.37) HTR6HTR1AHTR1DHTR2AHTR7
SCHEMBL17058094 0.81 ALDH1A1 (0.36) HTR6HTR1AHTR1DHTR2AHTR7
SCHEMBL11944311 0.79 ALDH1A1 (0.39) HTR6HTR1AHTR2AHTR7SLC2A1
SCHEMBL17058117 0.78 HTR1A (0.39) HTR6HTR1AHTR1DHTR2AHTR7
SCHEMBL17058320 0.77 LMNA (0.36) HTR6HTR1AHTR1DHTR2AHTR7
SCHEMBL17057818 0.77 HTR1A (0.36) HTR6HTR1AHTR1DHTR2AHTR7
SCHEMBL17058068 0.77 HTR1A (0.39) HTR6HTR1AHTR1DHTR2AHTR7
SCHEMBL17057805 0.76 CA12 (0.37) SLC2A1SLC2A3MCHR1NPBWR1SMN1; SMN2
SCHEMBL11945607 0.76 HTR1A (0.38) HTR6HTR1AHTR1DHTR2AHTR7

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
EP-2586778-A2 Pyridazinone derivatives useful as glucan synthase inhibitors Merck Sharp & Dohme Corp. (US) 2013-05-01 — — EP disclosed
Send feedback