SCHEMBL13166162

SCHEMBL13166162

CCCCC(=O)NC1(C(=O)NCc2ccc(Oc3ccc(C(C)O)cc3C(F)(F)F)cc2)CCOCC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
OPRL1 P41146 1/20 0.34
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34
KDM4E B2RXH2 1/20 0.33
FAAH O00519 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL13165764 0.95 UBE2M (0.33) HPGDHTTOPRL1UBE2MDCUN1D1
SCHEMBL13165776 0.92 OPRL1 (0.35) OPRL1UBE2MDCUN1D1MAPTEPHX2
SCHEMBL13166401 0.92 POLB (0.35) OPRL1UBE2MDCUN1D1MAPT
SCHEMBL13165587 0.90 MAPT (0.32) OPRL1MAPT
SCHEMBL13165790 0.90 MAPT (0.34) OPRL1UBE2MDCUN1D1MAPT
SCHEMBL13166402 0.90 MAPT (0.34) OPRL1UBE2MDCUN1D1MAPT
SCHEMBL13165725 0.90 CARM1 (0.34) OPRL1UBE2MDCUN1D1MAPT
SCHEMBL13165719 0.90 SCN9A (0.36) OPRL1UBE2MDCUN1D1MAPT
SCHEMBL13165593 0.89 MAPT (0.35) OPRL1UBE2MDCUN1D1MAPT
SCHEMBL13165644 0.89 ALDH1A1 (0.40) MAPTALDH1A1EPHX2

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
WO-2010097374-A1 COMPOUNDS FOR USE AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed