SCHEMBL8978466

SCHEMBL8978466

COc1cccc(C(O)C(NC(C)=O)C2CCCc3c(ccc(OCc4ccccc4)c3OCc3ccccc3)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 8/20 0.44
ACACB O00763 1/20 0.44
AGTR1 P30556 2/20 0.40
MTNR1A P48039 3/20 0.39
MTNR1B P49286 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
UGCG Q16739 1/20 0.38
LRRK2 Q5S007 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL8978468 0.81 POLB (0.40) MTNR1AMTNR1BMEN1ALDH1A1MAPK1
SCHEMBL8593552 0.80 ADRB3 (0.45) AGTR2
SCHEMBL8545450 0.79 AGTR2 (0.40) AGTR2ACACBAGTR1MTNR1AMTNR1B
SCHEMBL9410787 0.78 AGTR2 (0.44) AGTR2AGTR1KMT2ALRRK2
SCHEMBL8548581 0.75 CA1 (0.47) AGTR2ACACBAGTR1MTNR1AMTNR1B
SCHEMBL8540992 0.74 AGTR2 (0.44) AGTR2AGTR1CA1CA2ACHE
SCHEMBL8549721 0.72 AGTR2 (0.44) AGTR2AGTR1MTNR1AMTNR1B
SCHEMBL9410814 0.70 MAOB (0.36) AGTR2AGTR1LRRK2
SCHEMBL8547546 0.68 CA1 (0.46) AGTR2AGTR1MTNR1AMTNR1BMEN1
SCHEMBL8549143 0.66 ADRA1A (0.42) AGTR2AGTR1

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
US-5510376-A TREATING DIABETES, HYPERGLYCEMIA, OBESITY AMERICAN CYANAMID COMPANY (US) 1996-04-23 US disclosed