SCHEMBL13003086

SCHEMBL13003086

C=N/N=C(\NN)NC(=O)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2C2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 7/20 0.43
▸ GIPR P48546 3/20 0.43
▸ PRCP P42785 1/20 0.40
▸ DRD4 P21917 2/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ KCNH2 Q12809 2/20 0.38

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
SCHEMBL13003505 0.83 GAA (0.53) GCGRGIPRPRCPDRD4DRD2
SCHEMBL2667902 0.82 GCGR (0.63) GCGRGIPRKCNH2CYP3A4CYP2C8
SCHEMBL2667899 0.79 GCGR (0.44) GCGRGIPRPRCPDRD4HDAC1
SCHEMBL2667854 0.76 GCGR (0.54) GCGRGIPRHDAC1HDAC3HDAC4
SCHEMBL13748634 0.76 GCGR (0.46) GCGRGIPRPRCPHDAC1HDAC3
SCHEMBL2667850 0.75 GCGR (0.40) GCGRGIPRPRCPHDAC1HDAC3
SCHEMBL2667855 0.74 GCGR (0.54) GCGRGIPRHDAC1HDAC3HDAC4
SCHEMBL13749330 0.74 GCGR (0.44) GCGRGIPRMAPTMAPK1CYP2C9
SCHEMBL2667903 0.73 GCGR (0.61) GCGRGIPRKCNH2CYP3A4CYP2C8
SCHEMBL2667907 0.73 GCGR (0.77) GCGRGIPRKCNH2CYP3A4CYP2C8

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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