SCHEMBL6607357

SCHEMBL6607357

CCOC(=O)Cn1c(N2CCCN(CCC(CN(C)C(=O)c3cc(OC)c(OC)c(OC)c3)c3ccc(OC)cc3)CC2)nc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TACR2 P21452 5/20 0.39
MEN1 O00255 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
TACR1 P25103 1/20 0.36

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 0.95 TACR2 (0.40) LMNAMAPTALDH1A1TSHRTDP1
SCHEMBL6600856 0.94 TACR2 (0.39) LMNAMAPTALDH1A1TSHRTDP1
SCHEMBL6606584 0.92 TACR2 (0.51) TACR2TACR1
SCHEMBL6598857 0.91 ALDH1A1 (0.45) LMNAMAPTALDH1A1
SCHEMBL6604524 0.91 TACR2 (0.41) LMNAMAPTALDH1A1TACR2
SCHEMBL6597644 0.90 LMNA (0.45) LMNAMAPTALDH1A1TSHRTDP1
SCHEMBL6595395 0.89 TACR2 (0.44) LMNAMAPTALDH1A1TSHRTDP1
SCHEMBL6596830 0.89 LMNA (0.44) LMNAMAPTALDH1A1TSHRTDP1
SCHEMBL6596565 0.89 LMNA (0.43) LMNAMAPTALDH1A1TSHRTDP1
SCHEMBL6596004 0.88 LMNA (0.43) LMNAMAPTALDH1A1TSHRTDP1

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