SCHEMBL5316616

SCHEMBL5316616

NC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 20/20 0.59
KCNH2 Q12809 8/20 0.59

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
Hydrochloric Acid SCHEMBL4923401 0.99 MCHR1 (0.58) MCHR1KCNH2
Hydrochloric Acid SCHEMBL5318750 0.87 MCHR1 (0.66) MCHR1KCNH2
SCHEMBL5316462 0.83 MCHR1 (0.65) MCHR1KCNH2
SCHEMBL5316753 0.83 MCHR1 (0.53) MCHR1KCNH2
SCHEMBL27690410 0.82 MCHR1 (0.59) MCHR1KCNH2
SCHEMBL8109237 0.82 KDM4E (0.65) KCNH2
SCHEMBL6941820 0.82 KDM4E (0.65) KCNH2
SCHEMBL5322252 0.81 DRD4 (0.60) MCHR1KCNH2
SCHEMBL5316946 0.81 MCHR1 (0.72) MCHR1KCNH2
Hydrochloric Acid SCHEMBL27710070 0.81 MCHR1 (0.63) 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 2 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 disclosed
WO-2006068594-A1 HETEROCYCLIC MCHr1 ANTAGONISTS AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2006-06-29 WO disclosed