SCHEMBL747128

SCHEMBL747128

CN1CC(=O)N2[C@@H](CC(=O)O)C(=O)N(CC(c3ccccc3)c3ccccc3)C[C@@H]2N1C(=O)NCc1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 13/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CLPP Q16740 2/20 0.38
ALDH1A1 P00352 2/20 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
SCHEMBL746039 0.94 CLPP (0.42) CYP3A4CLPP
SCHEMBL747810 0.94 CYP3A4 (0.40) CYP3A4MEN1KMT2ACLPPALDH1A1
SCHEMBL12154065 0.94 CYP3A4 (0.40) CYP3A4MEN1KMT2ACLPPALDH1A1
SCHEMBL750228 0.94 CYP3A4 (0.40) CYP3A4MEN1KMT2ACLPPALDH1A1
SCHEMBL747574 0.92 CYP3A4 (0.38) CYP3A4MEN1KMT2ACLPPALDH1A1
SCHEMBL745999 0.92 CYP3A4 (0.46) CYP3A4CLPP
SCHEMBL748995 0.91 CLPP (0.39) CYP3A4MEN1KMT2ACLPPALDH1A1
SCHEMBL745986 0.91 CLPP (0.48) CYP3A4MEN1KMT2ACLPPALDH1A1
SCHEMBL748736 0.91 ALDH1A1 (0.43) CYP3A4MEN1KMT2ACLPPALDH1A1
SCHEMBL10258536 0.91 MEN1 (0.37) CYP3A4MEN1KMT2ACLPPALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729262-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2014-05-20 US disclosed
US-8318738-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-11-27 US disclosed
US-8138337-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-03-20 US disclosed
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-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
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