SCHEMBL6301246

SCHEMBL6301246

CCCCCN(C)c1ccc(Cn2c(C)nc3ccc(C(=O)O)cc32)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.56
AGTR1 P30556 9/20 0.41
AGTR2 P50052 9/20 0.41
TRPV1 Q8NER1 6/20 0.38
ACSS2 Q9NR19 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 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
SCHEMBL6308018 0.90 PPARG (0.53) PPARGTRPV1
SCHEMBL6301120 0.86 PPARG (0.78) PPARGTRPV1HDAC3HDAC4HDAC1
SCHEMBL6301148 0.84 PPARG (0.61) PPARGTRPV1HDAC3HDAC4HDAC1
SCHEMBL6299190 0.84 PPARG (0.42) PPARGAGTR1AGTR2TRPV1
SCHEMBL7651458 0.83 PPARG (0.56) PPARGAGTR1AGTR2ACSS2HDAC3
SCHEMBL6301628 0.83 PPARG (0.59) PPARGAGTR1AGTR2
SCHEMBL6301607 0.82 PPARG (0.58) PPARGAGTR1AGTR2
SCHEMBL6301633 0.82 PPARG (0.58) PPARGAGTR1AGTR2
SCHEMBL6301197 0.82 PPARG (0.58) PPARGAGTR1AGTR2
SCHEMBL6303561 0.82 PPARG (0.57) PPARGAGTR1AGTR2

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
US-6869950-B1 Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-03-22 US disclosed
EP-1142880-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed