SCHEMBL13709124

SCHEMBL13709124

C=CCOC(=O)NCCC[C@H]1C(=O)N(C(CC)CC)C[C@H]2N1C(=O)CN(C)N2C(=O)Nc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.38
MGLL Q99685 2/20 0.34
CYP3A4 P08684 12/20 0.34

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
SCHEMBL747719 0.91 FAAH (0.41) FAAHCYP3A4
SCHEMBL749340 0.85 CYP3A4 (0.36) FAAHCYP3A4
SCHEMBL12037742 0.84 CYP3A4 (0.43) FAAHCYP3A4
SCHEMBL762383 0.82 FAAH (0.42) FAAHCYP3A4
SCHEMBL746072 0.82 FAAH (0.42) FAAHCYP3A4
SCHEMBL16523929 0.82 FAAH (0.42) FAAHCYP3A4
SCHEMBL748558 0.80 CYP3A4 (0.41) FAAHCYP3A4
SCHEMBL744666 0.79 CYP3A4 (0.44) CYP3A4
SCHEMBL747191 0.79 CYP3A4 (0.39) FAAHCYP3A4
SCHEMBL16523944 0.79 CYP3A4 (0.39) FAAHCYP3A4

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-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-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