SCHEMBL13003065

SCHEMBL13003065

CC(C)(C)CN1CCC(C2=CC(c3cc(Cl)cc(Cl)c3)=CC=CN2Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 5/20 0.33
▸ ACKR3 P25106 1/20 0.32
▸ HDAC1 Q13547 4/20 0.32
▸ GIPR P48546 3/20 0.32
▸ MCHR1 Q99705 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ KCNH2 Q12809 2/20 0.31
▸ CACNA1I Q9P0X4 2/20 0.31
▸ GLP1R P43220 1/20 0.31
▸ HPGDS O60760 1/20 0.31
▸ WNT1 P04628 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ DRD4 P21917 1/20 0.31

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
SCHEMBL2252405 0.80 GCGR (0.46) GCGRHDAC1GIPRKCNH2
SCHEMBL2667606 0.71 GCGR (0.38) GCGRACKR3HDAC1GIPR
SCHEMBL2253932 0.70 GCGR (0.48) GCGRHDAC1GIPRKCNH2
SCHEMBL2667899 0.70 GCGR (0.44) GCGRACKR3HDAC1GIPRKCNH2
SCHEMBL2667900 0.69 GCGR (0.59) GCGRGIPRKCNH2
SCHEMBL13003191 0.67 GCGR (0.56) GCGRGIPRKCNH2
SCHEMBL2253874 0.66 GCGR (0.42) GCGRGIPR
SCHEMBL2255779 0.63 GCGR (0.59) GCGRHDAC1GIPRKCNH2
SCHEMBL2254585 0.63 GCGR (0.59) GCGRHDAC1GIPRKCNH2
SCHEMBL12360305 0.62 GCGR (0.60) GCGRHDAC1GIPRKCNH2

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-1590336-B1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME (US) 2010-12-01 — — EP disclosed
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