SCHEMBL763104

SCHEMBL763104

COc1ccc(CNC(=O)N2[C@H]3CN(CC(c4ccccc4)c4ccccc4)C(=O)[C@H](CC(=O)O)N3C(=O)CN2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 8/20 0.44
CASR P41180 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CCR5 P51681 2/20 0.41
CLPP Q16740 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.39
CACNA1G O43497 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38

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
SCHEMBL13412379 1.00 CYP3A4 (0.44) CYP3A4CASRMEN1KMT2ACCR5
SCHEMBL746946 0.94 CYP3A4 (0.43) CYP3A4CASRMEN1KMT2ACCR5
SCHEMBL12154762 0.94 CYP3A4 (0.44) CYP3A4CASRMEN1KMT2ACCR5
SCHEMBL750884 0.94 CYP3A4 (0.44) CYP3A4CASRMEN1KMT2ACCR5
SCHEMBL746039 0.93 CLPP (0.42) CYP3A4CLPP
SCHEMBL750697 0.92 CYP3A4 (0.43) CYP3A4CASRMEN1KMT2ACCR5
SCHEMBL10267288 0.92 CYP3A4 (0.51) CYP3A4CLPP
SCHEMBL10260368 0.92 CYP3A4 (0.43) CYP3A4CASRMEN1KMT2ACCR5
SCHEMBL10260363 0.92 CLPP (0.47) CYP3A4CASRMEN1KMT2ACCR5
SCHEMBL750491 0.91 CYP3A4 (0.42) CYP3A4MEN1KMT2ACLPPPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138337-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-03-20 US disclosed
US-8106049-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-01-31 US disclosed
US-8101751-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-01-24 US disclosed
US-8049008-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2011-11-01 US disclosed
US-7932384-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2011-04-26 US disclosed
US-7585862-B2 Colorectal cancer, restenosis associated with angioplasty, polycystic kidney disease, aberrant angiogenesis disease, rheumatoid arthritis disease, tuberous sclerosis complex, Alzheimer's disease, excess hair growth or loss CHOONGWAE PHARMA CORPORATION (KR) 2009-09-08 US disclosed
US-7576084-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2009-08-18 US disclosed
US-7576084-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2009-08-18 US disclosed
US-7566711-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2009-07-28 US disclosed
US-7566711-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2009-07-28 US disclosed
US-7232822-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2007-06-19 US disclosed
US-7232822-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2007-06-19 US disclosed