SCHEMBL5316753

SCHEMBL5316753

FC(F)(F)c1ccc(-n2ccc(CN3CC[CH]CC3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 19/20 0.53
KCNH2 Q12809 7/20 0.53
DRD4 P21917 1/20 0.50

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
SCHEMBL5316616 0.83 MCHR1 (0.59) MCHR1KCNH2
Hydrochloric Acid SCHEMBL4923401 0.82 MCHR1 (0.58) MCHR1KCNH2
SCHEMBL979665 0.80 KDM4E (0.71)
SCHEMBL5316462 0.79 MCHR1 (0.65) MCHR1KCNH2
SCHEMBL5322252 0.77 DRD4 (0.60) MCHR1KCNH2DRD4
Hydrochloric Acid SCHEMBL27710070 0.77 MCHR1 (0.63) MCHR1KCNH2
SCHEMBL5316946 0.77 MCHR1 (0.72) MCHR1KCNH2
SCHEMBL4919276 0.76 MCHR1 (0.57) MCHR1KCNH2
Chlorolithium SCHEMBL4922637 0.76 MCHR1 (0.62) MCHR1KCNH2
Chlorolithium SCHEMBL4927349 0.75 MCHR1 (0.68) MCHR1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831194-A1 HETEROCYCLIC MCHr1 ANTAGONISTS AND THEIR USE IN THERAPY AstraZeneca AB (SE) 2007-09-12 EP claimed
WO-2006068594-A1 HETEROCYCLIC MCHr1 ANTAGONISTS AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2006-06-29 WO claimed
CN-101124216-A Heterocyclic MCHr1 antagonists and their use in therapy ASTRAZENECA AB (SE) 2008-02-13 CN disclosed
EP-1831194-A1 HETEROCYCLIC MCHr1 ANTAGONISTS AND THEIR USE IN THERAPY AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006068594-A1 HETEROCYCLIC MCHr1 ANTAGONISTS AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2006-06-29 WO disclosed