SCHEMBL6634902

SCHEMBL6634902

C=CCCCC[CH]CCC

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.62
ALDH1A1 P00352 3/20 0.60
ABCC4 O15439 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.35
TRPA1 O75762 3/20 0.34
LPAR3 Q9UBY5 2/20 0.31
LPAR2 Q9HBW0 1/20 0.31

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
SCHEMBL28789930 0.97 TSHR (0.67) TSHRALDH1A1ABCC4MAPTLMNA
SCHEMBL1453986 0.94
SCHEMBL27740814 0.89 TSHR (0.79) TSHRALDH1A1ABCC4MAPT
SCHEMBL1279371 0.86 TSHR (0.84) TSHRALDH1A1ABCC4MAPT
SCHEMBL20526061 0.86 TSHR (0.84) TSHRALDH1A1ABCC4MAPT
SCHEMBL9614292 0.86 TSHR (0.84) TSHRALDH1A1ABCC4MAPT
SCHEMBL9576903 0.86 TSHR (0.84) TSHRALDH1A1ABCC4MAPT
SCHEMBL4370743 0.86 TSHR (0.84) TSHRALDH1A1ABCC4MAPT
SCHEMBL5506099 0.86 TSHR (0.84) TSHRALDH1A1ABCC4MAPT
SCHEMBL11790787 0.86 TSHR (0.84) TSHRALDH1A1ABCC4MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1061076-B1 N-ACYL CYCLIC AMINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-12-08 EP disclosed
EP-1061076-A1 N-ACYL CYCLIC AMINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-12-20 EP disclosed