SCHEMBL6599764

SCHEMBL6599764

CCCCCn1c(N2CCCN(CCC(CN(C)C(=O)c3ccccc3)c3ccc(F)c(F)c3)CC2)nc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 10/20 0.49

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
SCHEMBL6608173 0.92 TACR2 (0.47) TACR2
SCHEMBL6598871 0.92 TACR2 (0.51) TACR2
SCHEMBL6599334 0.91 TACR2 (0.49) TACR2
SCHEMBL6596392 0.91 TACR2 (0.49) TACR2
SCHEMBL6594212 0.91 TACR2 (0.40) TACR2
SCHEMBL6599581 0.91 TACR2 (0.51) TACR2
SCHEMBL6596822 0.90 TACR2 (0.51) TACR2
SCHEMBL6597245 0.90 TACR2 (0.64) TACR2
SCHEMBL6597543 0.89 TACR2 (0.48) TACR2
SCHEMBL6596839 0.89 TACR2 (0.46) TACR2

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 3 patents. 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
EP-0888338-A1 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 HOECHST MARION ROUSSEL, INC. (US) 1999-01-07 EP disclosed
WO-1997030991-A1 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 HOECHST MARION ROUSSEL, INC. (US) 1997-08-28 WO disclosed