SCHEMBL6972628

SCHEMBL6972628

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)O)cc2Cl)c(C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.58
GAA P10253 1/20 0.57
PYGL P06737 1/20 0.53
TAS1R3 Q7RTX0 2/20 0.48
TAS1R1 Q7RTX1 2/20 0.48
TAS1R2 Q8TE23 2/20 0.48
TP53 P04637 2/20 0.47
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 2/20 0.46
PPARG P37231 2/20 0.46
NR1H4 Q96RI1 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PPARA Q07869 1/20 0.46
GRM1 Q13255 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA4 P22748 1/20 0.45

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
SCHEMBL6968515 0.91 PYGL (0.57) RAB9AGAAPYGLTP53MAPT
SCHEMBL6965911 0.86 TP53 (0.56) RAB9AGAATAS1R3TAS1R1TAS1R2
SCHEMBL7372458 0.86 RAB9A (0.57) RAB9AGAAPYGLMAPTNPSR1
SCHEMBL8812458 0.84 RAB9A (0.57) RAB9APYGLTP53NPSR1KMT2A
SCHEMBL7332090 0.83 PYGL (0.62) RAB9APYGLTP53KMT2ANPC1
SCHEMBL8314686 0.82 RAB9A (0.57) RAB9APYGLTAS1R3TAS1R1TAS1R2
SCHEMBL17498480 0.78 RAB9A (0.56) RAB9AGAAPYGLTAS1R3TAS1R1
SCHEMBL8313578 0.78 PYGL (0.56) RAB9APYGLTP53MAPTNPC1
SCHEMBL27376893 0.78 PYGL (0.54) RAB9APYGLMAPTNPSR1KMT2A
SCHEMBL16140720 0.78 RAB9A (0.78) RAB9AGAATP53MAPTNPSR1

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-0620216-B1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2003-01-08 EP disclosed
EP-0620216-A1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed