SCHEMBL7018991

SCHEMBL7018991

CCCNc1ccc(CCN(C[C@H](O)COc2ccccc2)C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ADRB1 P08588 9/20 0.48
ADRB3 P13945 9/20 0.48
POLB P06746 1/20 0.46
ADRB2 P07550 1/20 0.46
KCNH2 Q12809 1/20 0.45
ABCB1 P08183 4/20 0.44

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
SCHEMBL7018996 1.00 MAPT (0.50) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL7124858 0.85 ADRB1 (0.47) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL7012719 0.82 ALDH1A1 (0.49) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL7012718 0.82 ALDH1A1 (0.49) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL7124863 0.82 MAPT (0.46) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL7122279 0.81 MAPT (0.50) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL7118226 0.79 MAPT (0.50) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL7118863 0.78 ALDH1A1 (0.42) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL7009709 0.78 MEN1 (0.58) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL7009713 0.78 MEN1 (0.58) MAPTALDH1A1CYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0972769-B1 NOVEL AMIDE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF YAMANOUCHI PHARMA CO LTD (JP) 2003-04-16 EP disclosed
US-6177454-B1 ANTIDIABETIC AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-23 US disclosed
US-6048884-A ANTIDIABETIC AGENTS; HYPOGLYCEMIC AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2000-04-11 US disclosed
EP-0972769-A1 NOVEL AMIDE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2000-01-19 EP disclosed