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Sugi Predict / Compounds / SCHEMBL6162098

SCHEMBL6162098

SCHEMBL6162098

CC(C)(C)OC(=O)NC(C)(C)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCc2ccc(N)cc2C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 6/20 0.47
▸ YAP1 P46937 3/20 0.47
▸ NR1H2 P55055 1/20 0.45
▸ ADORA1 P30542 1/20 0.45
▸ HCRTR1 O43613 4/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ACE P12821 1/20 0.44
▸ HRH2 P25021 1/20 0.44
▸ HRH1 P35367 1/20 0.44
▸ BCL2 P10415 1/20 0.42
▸ P2RX7 Q99572 3/20 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
SCHEMBL6162093 1.00 HCRTR2 (0.47) HCRTR2YAP1NR1H2ADORA1HCRTR1
SCHEMBL6162688 0.87 NR1H2 (0.48) HCRTR2NR1H2ADORA1HCRTR1KMT2A
SCHEMBL6162692 0.87 NR1H2 (0.48) HCRTR2NR1H2ADORA1HCRTR1KMT2A
SCHEMBL6164155 0.85 P2RX7 (0.49) HCRTR2BCL2P2RX7
SCHEMBL6165392 0.81 PPARA (0.46) NR1H2
SCHEMBL6165388 0.81 PPARA (0.46) NR1H2
SCHEMBL6163734 0.80 TACR1 (0.48) NR1H2KMT2AACE
SCHEMBL6163736 0.80 TACR1 (0.48) NR1H2KMT2AACE
SCHEMBL6160810 0.78 PTPN1 (0.61) YAP1ACEBCL2
SCHEMBL6160820 0.78 PTPN1 (0.61) YAP1ACEBCL2

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-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 — — EP disclosed