SCHEMBL13712397

SCHEMBL13712397

CN1CC(=O)N2C(Cc3ccc(O)cc3)C(=O)N(Cc3cccc4nccnc34)C[C@@H]2N1C(=O)NCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 17/20 0.58
CTNNB1 P35222 3/20 0.57
TCF7 P36402 2/20 0.57
TCF4 P15884 2/20 0.57
CREBBP Q92793 2/20 0.57
BCL9 O00512 1/20 0.57
CLPP Q16740 1/20 0.57

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
SCHEMBL750551 1.00 CYP3A4 (0.58) CYP3A4CTNNB1TCF7TCF4CREBBP
SCHEMBL750548 0.93 CTNNB1 (0.61) CYP3A4CTNNB1TCF7TCF4CREBBP
SCHEMBL13712377 0.93 CTNNB1 (0.61) CYP3A4CTNNB1TCF7TCF4CREBBP
SCHEMBL748763 0.92 CTNNB1 (0.64) CYP3A4CTNNB1TCF7TCF4CREBBP
SCHEMBL12222417 0.92 CTNNB1 (0.64) CYP3A4CTNNB1TCF7TCF4CREBBP
SCHEMBL751933 0.92 CTNNB1 (0.64) CYP3A4CTNNB1TCF7TCF4CREBBP
SCHEMBL12021501 0.92 CTNNB1 (0.64) CYP3A4CTNNB1TCF7TCF4CREBBP
SCHEMBL13028804 0.89 CYP3A4 (0.57) CYP3A4CTNNB1TCF7TCF4CREBBP
SCHEMBL749242 0.89 CYP3A4 (0.57) CYP3A4CTNNB1TCF7TCF4CREBBP
SCHEMBL13028663 0.88 CTNNB1 (0.55) CYP3A4CTNNB1TCF7TCF4CREBBP

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
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