SCHEMBL4479744

SCHEMBL4479744

CC(C)N(C)c1nc2ccc(NC(=O)c3nc(-c4ccc(F)c(F)c4)no3)cc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.59
KDR P35968 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.39
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
NR2E3 Q9Y5X4 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 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
SCHEMBL3837280 0.91 MCHR1 (0.68) MCHR1KDRSCN10ALMNATP53
SCHEMBL3835961 0.89 MCHR1 (0.60) MCHR1LMNATP53MAPTTHRB
SCHEMBL3831980 0.87 MCHR1 (0.67) MCHR1SCN10AHDAC4
SCHEMBL3832012 0.86 MCHR1 (0.56) MCHR1MAPTNR2E3HDAC6KMT2A
SCHEMBL13817998 0.85 MCHR1 (0.60) MCHR1KDRMAPTPOLB
SCHEMBL3837969 0.76 MCHR1 (0.68) MCHR1KDRLMNAMAPTHDAC4
SCHEMBL13817977 0.76 MCHR1 (0.74) MCHR1KDRLMNAMAPTPOLB
SCHEMBL3831523 0.76 MCHR1 (0.82) MCHR1KDRMAPTPOLBATM
SCHEMBL3833412 0.75 MCHR1 (0.65) MCHR1
SCHEMBL3831493 0.75 MCHR1 (0.65) MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7541477-B2 Antagonists to melanin-concentrating hormone receptor comprising benzimidazole derivative as active ingredient BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-06-02 US disclosed
US-7541477-B2 Antagonists to melanin-concentrating hormone receptor comprising benzimidazole derivative as active ingredient BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-06-02 US disclosed
US-7541477-B2 Antagonists to melanin-concentrating hormone receptor comprising benzimidazole derivative as active ingredient BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-06-02 US disclosed
EP-1553089-A1 ANTAGONIST OF MELANIN-CONCENTRATING HORMONE RECEPTOR COMPRISING BENZIMIDAZOLE DERIVATIVE AS ACTIVE INGREDIENT BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-07-13 EP disclosed