SCHEMBL2779974

SCHEMBL2779974

CCN(CCCc1ccc(C2(C(=O)NCCC(=O)O)CCOCC2)cc1)c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ CHRM2 P08172 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CHRM5 P08912 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ GLS O94925 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL2780354 0.92 POLB (0.45) POLBALDH1A1CHRM2MEN1KMT2A
SCHEMBL2782990 0.92 POLB (0.40) POLBALDH1A1CHRM2MEN1KMT2A
SCHEMBL2778659 0.88 ALDH1A1 (0.41) POLBALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL2781623 0.87 POLB (0.42) POLBALDH1A1CHRM2MEN1KMT2A
SCHEMBL2781360 0.82 ALDH1A1 (0.40) POLBALDH1A1MEN1KMT2ALMNA
SCHEMBL2780116 0.80 POLB (0.36) POLBALDH1A1MEN1KMT2ALMNA
SCHEMBL2130806 0.79 EPHX2 (0.49) POLBALDH1A1MEN1KMT2ACHRM3
SCHEMBL2130811 0.79 EPHX2 (0.49) POLBALDH1A1MEN1KMT2ACHRM3
SCHEMBL2784683 0.79 FFAR1 (0.47) ALDH1A1MEN1KMT2AL3MBTL1LMNA
SCHEMBL2778748 0.76 OPRL1 (0.37) ALDH1A1KMT2AL3MBTL1LMNANPSR1

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
WO-2010136036-A2 CALCIUM-SENSING RECEPTOR-ACTIVE COMPOUNDS LEO PHARMA A/S (DK) 2010-12-02 — — WO claimed
WO-2010136036-A2 CALCIUM-SENSING RECEPTOR-ACTIVE COMPOUNDS LEO PHARMA A/S (DK) 2010-12-02 — — WO disclosed
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