SCHEMBL16403650

SCHEMBL16403650

CCCCC1(C(=O)O)N=CC(Cl)(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)N1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 2/20 0.35
AGTR1 P30556 8/20 0.35
AGTR2 P50052 6/20 0.35

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
SCHEMBL2052910 0.72 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9296349 0.71 LTB4R2 (0.33) LTB4R2AGTR1AGTR2
SCHEMBL9296356 0.71 LTB4R2 (0.33) LTB4R2AGTR1AGTR2
SCHEMBL6953051 0.71 HSD11B1 (0.47) AGTR1AGTR2
SCHEMBL9709753 0.70 LTB4R2 (0.42) LTB4R2AGTR1AGTR2
SCHEMBL9667305 0.70 AGTR1 (0.46) LTB4R2AGTR1AGTR2
SCHEMBL18425480 0.69 LTB4R2 (0.69) LTB4R2AGTR1
SCHEMBL594508 0.69 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9709732 0.69 LTB4R2 (0.41) LTB4R2AGTR1AGTR2
SCHEMBL3423 0.69 LTB4R2 (0.49) LTB4R2AGTR1AGTR2

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-3004138-A2 ULTRA-PURE AGONISTS OF GUANYLATE CYCLASE C, METHOD OF MAKING AND USING SAME Synergy Pharmaceuticals Inc. (US) 2016-04-13 EP disclosed
WO-2014197720-A2 ULTRA-PURE AGONISTS OF GUANYLATE CYCLASE C, METHOD OF MAKING AND USING SAME SYNERGY PHARMACEUTICALS, INC. (US) 2014-12-11 WO disclosed