SCHEMBL6605217

SCHEMBL6605217

CCOC(=O)Cn1c(N2CCCN(CCC(CN(C)C(=O)c3ccccc3)c3ccccc3)CC2)nc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 4/20 0.47
MEN1 O00255 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 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
SCHEMBL6609161 0.91 TACR2 (0.40) TACR2MEN1BLMKMT2ALMNA
SCHEMBL6599105 0.90 TACR2 (0.51) TACR2KMT2ALMNAMAPT
SCHEMBL6595002 0.89 CHRM1 (0.49) TACR2
SCHEMBL6597801 0.89 TACR2 (0.45) TACR2MEN1BLMKMT2A
SCHEMBL6599334 0.87 TACR2 (0.49) TACR2
SCHEMBL6607357 0.87 LMNA (0.46) TACR2MEN1BLMKMT2ALMNA
SCHEMBL6600856 0.86 TACR2 (0.39) TACR2MEN1BLMKMT2ALMNA
SCHEMBL6595639 0.86 TACR2 (0.47) TACR2
SCHEMBL6598517 0.85 TACR2 (0.49) TACR2
SCHEMBL6596599 0.85 CHRM1 (0.47) 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 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