SCHEMBL748459

SCHEMBL748459

CN1CC(=O)N2[C@@H](Cc3ccc(OP(=O)(O)O)cc3)C(=O)N(Cc3cccc4cnn(Cc5cccc(N)c5)c34)C[C@@H]2N1C(=O)NCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TCF4 P15884 2/20 0.55
CTNNB1 P35222 2/20 0.55
CREBBP Q92793 1/20 0.55
CYP3A4 P08684 17/20 0.49
CLPP Q16740 1/20 0.46

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
SCHEMBL748672 0.92 CYP3A4 (0.56) TCF4CTNNB1CREBBPCYP3A4CLPP
SCHEMBL749259 0.90 CTNNB1 (0.60) TCF4CTNNB1CREBBPCYP3A4CLPP
SCHEMBL747815 0.87 CYP3A4 (0.56) TCF4CTNNB1CREBBPCYP3A4CLPP
SCHEMBL748099 0.86 CYP3A4 (0.56) TCF4CTNNB1CREBBPCYP3A4CLPP
SCHEMBL13344277 0.86 CYP3A4 (0.57) TCF4CTNNB1CREBBPCYP3A4CLPP
SCHEMBL748379 0.85 CLPP (0.63) TCF4CTNNB1CREBBPCYP3A4CLPP
SCHEMBL14620313 0.84 CTNNB1 (0.52) TCF4CTNNB1CREBBPCYP3A4CLPP
SCHEMBL3655743 0.83 CYP3A4 (0.66) CYP3A4
SCHEMBL10291397 0.83 CTNNB1 (0.52) TCF4CTNNB1CREBBPCYP3A4CLPP
SCHEMBL10227148 0.83 CYP3A4 (0.56) TCF4CTNNB1CREBBPCYP3A4CLPP

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 3 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-8049008-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2011-11-01 US disclosed
US-7671054-B1 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2010-03-02 US disclosed