SCHEMBL6165588

SCHEMBL6165588

CCNC(=O)c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.65
▸ NR1H2 P55055 1/20 0.57
▸ HDAC6 Q9UBN7 7/20 0.54
▸ HDAC8 Q9BY41 3/20 0.54
▸ GPR119 Q8TDV5 2/20 0.51
▸ PRMT5 O14744 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ HTT P42858 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ NAMPT P43490 1/20 0.45
▸ HDAC1 Q13547 2/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL1365222 0.89 ESR2 (0.62) ESR2NR1H2HDAC6HDAC8PRMT5
SCHEMBL31553363 0.88 ESR2 (0.67) ESR2NR1H2HDAC6HDAC8KDM4E
SCHEMBL31553409 0.88 ESR2 (0.67) ESR2NR1H2HDAC6HDAC8KDM4E
SCHEMBL14063092 0.87 ESR2 (0.69) ESR2NR1H2HDAC6HDAC8NAMPT
SCHEMBL30301758 0.84 ESR2 (0.69) ESR2NR1H2HDAC6HDAC8KDM4E
SCHEMBL3024823 0.84 ESR2 (0.69) ESR2NR1H2HDAC6HDAC8KDM4E
SCHEMBL5077823 0.84 NR1H2 (0.61) ESR2NR1H2HDAC6HDAC8PRMT5
SCHEMBL29406723 0.84 ESR2 (0.72) ESR2NR1H2HDAC6HDAC8KDM4E
SCHEMBL1365145 0.84 ESR2 (0.72) ESR2NR1H2HDAC6HDAC8GPR119
SCHEMBL306991 0.84 ESR2 (0.72) ESR2NR1H2HDAC6HDAC8KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 — — EP disclosed
US-5936089-A PIPERIDINE DERIVATIVES; BONE DISORDERS; OBESITY; AGING; CACHEXIA ASSOCIATED WITH AIDS AND CANCER PFIZER INC (US) 1999-08-10 — — US disclosed
WO-1996035713-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER, INC. (US) 1996-11-14 — — WO disclosed
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