SCHEMBL12154232

SCHEMBL12154232

CCCCCCCN1CC2N(C(=O)CN(C)N2C(=O)NCc2ccc(F)cc2)[C@@H](Cc2ccc(O)cc2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 17/20 0.48
CTNNB1 P35222 2/20 0.44
TCF7 P36402 2/20 0.44
BCL9 O00512 1/20 0.44
TCF4 P15884 1/20 0.44
CLPP Q16740 1/20 0.44
CREBBP Q92793 1/20 0.44

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
SCHEMBL748061 1.00 CYP3A4 (0.48) CYP3A4CTNNB1TCF7BCL9TCF4
SCHEMBL747845 1.00 CYP3A4 (0.48) CYP3A4CTNNB1TCF7BCL9TCF4
SCHEMBL747548 0.97 CYP3A4 (0.46) CYP3A4CTNNB1TCF7BCL9TCF4
SCHEMBL746524 0.94 CYP3A4 (0.48) CYP3A4CTNNB1TCF7BCL9TCF4
SCHEMBL747851 0.94 CYP3A4 (0.48) CYP3A4CTNNB1TCF7BCL9TCF4
SCHEMBL747637 0.93 CYP3A4 (0.54) CYP3A4CTNNB1TCF7BCL9TCF4
SCHEMBL745020 0.93 CYP3A4 (0.54) CYP3A4CTNNB1TCF7BCL9TCF4
SCHEMBL750290 0.92 CYP3A4 (0.45) CYP3A4
SCHEMBL12153693 0.92 CYP3A4 (0.46) CYP3A4CTNNB1TCF7BCL9TCF4
SCHEMBL749886 0.91 CYP3A4 (0.51) CYP3A4

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
US-8049008-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2011-11-01 US disclosed
US-8049008-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2011-11-01 US disclosed