SCHEMBL7652082

SCHEMBL7652082

O=c1[nH]c(=O)n(CCCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BCHE P06276 9/20 0.56
SIGMAR1 Q99720 1/20 0.43
HPGDS O60760 1/20 0.42
P2RX7 Q99572 2/20 0.42

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
SCHEMBL7655656 0.93 BCHE (0.56) BCHEHPGDSP2RX7
SCHEMBL7651720 0.86 BCHE (0.48) BCHEHPGDSP2RX7
SCHEMBL7654569 0.86 BCHE (0.53) BCHEHPGDSP2RX7
SCHEMBL7656321 0.86 BCHE (0.48) BCHEHPGDSP2RX7
SCHEMBL7649496 0.86 BCHE (0.53) BCHEHPGDSP2RX7
SCHEMBL7648364 0.85 P2RX7 (0.53) BCHEHPGDSP2RX7
SCHEMBL7653124 0.84 BCHE (0.55) BCHEHPGDSP2RX7
SCHEMBL7659052 0.84 BCHE (0.46) BCHEHPGDSP2RX7
SCHEMBL7654420 0.84 P2RX7 (0.52) BCHEHPGDSP2RX7
SCHEMBL7652273 0.83 BCHE (0.49) BCHEHPGDSP2RX7

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-6407116-B1 2,4-DIOXO-1,2,3,4-TETRAHYDROQUINAZOLINE DERIVATIVES; ANTIALLERGENS, ANTIASTHMATICS, ANTIHISTAMINES, AND ANTIINFLAMMATORY AGENTS TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2002-06-18 US disclosed
EP-1026160-A1 NITROGENOUS FUSED-RING COMPOUNDS, PROCESS FOR THE PREPARATION OF THE SAME, AND DRUGS Takeda Chemical Industries, Ltd. (JP) 2000-08-09 EP disclosed