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Sugi Predict / Compounds / SCHEMBL6600136

SCHEMBL6600136

SCHEMBL6600136

COc1ccc(C(CCN2CCCN(c3nc4ccccc4n3N(C)C(C)=O)CC2)CN(C)C(=O)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TACR2 P21452 17/20 0.48
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TACR1 P25103 2/20 0.41

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
SCHEMBL6596944 0.93 TACR2 (0.51) TACR2TACR1
SCHEMBL6594752 0.92 TACR2 (0.41) TACR2LMNAMAPTTSHRTDP1
SCHEMBL6598099 0.87 LMNA (0.49) TACR2LMNAMAPTTSHRTDP1
SCHEMBL6593467 0.86 LMNA (0.48) TACR2LMNAMAPTTSHRTDP1
SCHEMBL6595755 0.86 MAPT (0.47) TACR2LMNAMAPTTSHRTDP1
SCHEMBL6597393 0.86 LMNA (0.48) TACR2LMNAMAPTTSHRTDP1
SCHEMBL6597238 0.86 LMNA (0.46) TACR2LMNAMAPTTSHRTDP1
SCHEMBL6597166 0.86 LMNA (0.46) TACR2LMNAMAPTTSHRTDP1
SCHEMBL6596491 0.85 TACR2 (0.41) TACR2TACR1
SCHEMBL6596646 0.85 HRH1 (0.48) TACR2LMNAMAPTTSHRTDP1

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