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Sugi Predict / Compounds / SCHEMBL6594100

SCHEMBL6594100

SCHEMBL6594100

COc1cc(C(=O)N(C)CC(CCN2CCCN(c3nc4ccccc4n3CCS(=O)(=O)c3ccccc3)CC2)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TACR2 P21452 18/20 0.51
▸ TACR1 P25103 3/20 0.46

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
SCHEMBL6596155 0.93 TACR2 (0.51) TACR2TACR1
SCHEMBL6598534 0.93 TACR2 (0.40) TACR2TACR1
SCHEMBL6594314 0.93 CCR5 (0.45) TACR2TACR1
SCHEMBL6599189 0.92 LMNA (0.41) TACR2TACR1
SCHEMBL6599314 0.92 TACR2 (0.61) TACR2TACR1
SCHEMBL6595938 0.92 TACR2 (0.39) TACR2TACR1
SCHEMBL6595344 0.90 TACR2 (0.54) TACR2TACR1
SCHEMBL6594972 0.89 TACR2 (0.52) TACR2TACR1
SCHEMBL6599260 0.89 TACR2 (0.52) TACR2TACR1
SCHEMBL6597956 0.89 TACR2 (0.51) TACR2TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888338-B1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL) 1,4]DIAZEPAN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES AVENTIS PHARMA INC (US) 2004-11-17 — — EP disclosed