SCHEMBL325939

SCHEMBL325939

Cc1cc(CN2CCN(C)CC2)ccc1OC1CN(C(=O)N2NC=C(c3ccccc3)O2)C1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.48
KCNH2 Q12809 2/20 0.48
UTS2R Q9UKP6 5/20 0.41
CD274 Q9NZQ7 6/20 0.39
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38
SUCNR1 Q9BXA5 1/20 0.38
FAAH O00519 1/20 0.37

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
SCHEMBL326893 0.80 MCHR1 (0.63) MCHR1KCNH2
SCHEMBL322400 0.80 UTS2R (0.47) MCHR1KCNH2UTS2RCD274FAAH
SCHEMBL320844 0.78 MCHR1 (0.75) MCHR1KCNH2
SCHEMBL326280 0.78 MCHR1 (0.41) MCHR1KCNH2UTS2R
SCHEMBL10190043 0.74 UTS2R (0.44) MCHR1KCNH2UTS2R
SCHEMBL10263931 0.72 MCHR1 (0.64) MCHR1KCNH2
SCHEMBL16161556 0.72 KCNH2 (0.46) MCHR1KCNH2UTS2RCD274
SCHEMBL321107 0.71 MCHR1 (0.65) MCHR1KCNH2
SCHEMBL1394218 0.70 CRHBP (0.47) UTS2R
SCHEMBL325996 0.70 MCHR1 (0.71) 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-2590969-A2 THERAPEUTIC AGENTS 976 AstraZeneca AB (SE) 2013-05-15 EP disclosed
WO-2012004588-A2 THERAPEUTIC AGENTS 976 ASTRAZENECA AB (SE) 2012-01-12 WO disclosed