SCHEMBL9036830

SCHEMBL9036830

CCCCC1=NC(C)(C2CCCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.51
AGTR1 P30556 2/20 0.51
LTB4R2 Q9NPC1 2/20 0.51
ACHE P22303 1/20 0.51
ABCC3 O15438 1/20 0.51
ABCC4 O15439 1/20 0.51
ABCB11 O95342 1/20 0.51
LMNA P02545 1/20 0.51
CYP3A4 P08684 1/20 0.51
GAA P10253 1/20 0.51
EDNRA P25101 1/20 0.51
MAPK1 P28482 1/20 0.51
HTR2B P41595 1/20 0.51
AGTR2 P50052 1/20 0.51
PDE3A Q14432 1/20 0.51
SLC10A1 Q14973 1/20 0.51

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
SCHEMBL9035906 1.00 PPARG (0.51) PPARGAGTR1LTB4R2ACHEABCC3
SCHEMBL9035903 0.86 AGTR1 (0.49) AGTR1LTB4R2ABCC3ABCC4ABCB11
SCHEMBL8958371 0.85 AGTR1 (0.54) AGTR1LTB4R2ABCC3ABCC4ABCB11
SCHEMBL8958378 0.85 AGTR1 (0.54) AGTR1LTB4R2ABCC3ABCC4ABCB11
SCHEMBL8958364 0.85 AGTR1 (0.54) AGTR1LTB4R2ABCC3ABCC4ABCB11
SCHEMBL9464252 0.81 AGTR1 (0.50) AGTR1LTB4R2ABCC3ABCC4ABCB11
SCHEMBL9464258 0.81 AGTR1 (0.50) AGTR1LTB4R2ABCC3ABCC4ABCB11
SCHEMBL9464251 0.81 AGTR1 (0.50) AGTR1LTB4R2ABCC3ABCC4ABCB11
SCHEMBL21083908 0.78 AGTR1 (0.61) AGTR1LTB4R2ACHEABCC3ABCC4
SCHEMBL8958455 0.77 ACHE (0.73) AGTR1LTB4R2ACHE

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-0501892-B1 Diazotized heterocyclic derivatives N-substituted by a biphenylmethyl group, their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1996-07-24 EP claimed
US-5268375-A Dinitrogen heterocyclic derivatives N-substituted by a biphenylmethyl group, and the pharmaceutical compositions in which they are present ELF SANOFI (FR) 1993-12-07 US disclosed