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SCHEMBL6599327

SCHEMBL6599327

COc1cc(C(=O)N(C)CC(CCN2CCCN(c3nc4ccccc4n3Cc3ccc(CO)o3)CC2)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TACR2 P21452 17/20 0.49
▸ TACR1 P25103 2/20 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
SCHEMBL6594797 0.94 TACR2 (0.40) TACR2TACR1
SCHEMBL6594353 0.94 TACR2 (0.40) TACR2TACR1
SCHEMBL6592794 0.93 TACR2 (0.39) TACR2TACR1
SCHEMBL6597168 0.93 TACR2 (0.39) TACR2TACR1
SCHEMBL6597554 0.92 TACR2 (0.39) TACR2TACR1
SCHEMBL6597322 0.92 LMNA (0.41) TACR2TACR1
SCHEMBL6595657 0.92 TACR2 (0.38) TACR2TACR1
SCHEMBL6592554 0.92 TACR2 (0.38) TACR2TACR1
SCHEMBL6598106 0.92 TACR2 (0.59) TACR2TACR1
SCHEMBL6596490 0.91 TACR2 (0.37) 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