SCHEMBL7279632

SCHEMBL7279632

CCCCC(=O)N(CCCOC)Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 10/20 0.52
LTB4R2 Q9NPC1 10/20 0.49
AGTR2 P50052 1/20 0.47
MLNR O43193 1/20 0.45
ABCB11 O95342 1/20 0.43
GP6 Q9HCN6 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NCOR2 Q9Y618 1/20 0.43

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
SCHEMBL3115 0.95 AGTR1 (0.53) AGTR1LTB4R2AGTR2ABCB11GP6
SCHEMBL2759 0.92 AGTR1 (0.52) AGTR1LTB4R2AGTR2MLNRABCB11
SCHEMBL2789 0.92 AGTR1 (0.55) AGTR1LTB4R2AGTR2ABCB11GP6
SCHEMBL3042 0.91 AGTR1 (0.54) AGTR1LTB4R2AGTR2ABCB11GP6
SCHEMBL2118 0.91 AGTR1 (0.55) AGTR1LTB4R2AGTR2ABCB11GP6
SCHEMBL2453 0.90 AGTR1 (0.51) AGTR1LTB4R2AGTR2ABCB11GP6
SCHEMBL3100 0.90 AGTR1 (0.46) AGTR1LTB4R2AGTR2MLNRABCB11
SCHEMBL2510 0.90 AGTR1 (0.53) AGTR1LTB4R2AGTR2ABCB11GP6
SCHEMBL2976637 0.90 AGTR1 (0.53) AGTR1LTB4R2AGTR2ABCB11GP6
SCHEMBL7271515 0.90 AGTR1 (0.53) AGTR1LTB4R2AGTR2ABCB11GP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0443983-B1 Acyl compounds CIBA GEIGY AG (CH) 1996-02-28 EP claimed
EP-0443983-A1 Acyl compounds CIBA-GEIGY AG (CH) 1991-08-28 EP claimed
US-5965592-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1999-10-12 US disclosed
EP-0443983-B1 Acyl compounds CIBA GEIGY AG (CH) 1996-02-28 EP disclosed
EP-0443983-A1 Acyl compounds CIBA-GEIGY AG (CH) 1991-08-28 EP disclosed