SCHEMBL7338801

SCHEMBL7338801

CC(C[CH]C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NC1CCCN(C)C1c1ccccc1)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.43
PPARG P37231 1/20 0.41
ACE P12821 4/20 0.41
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA5 P30532 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
MME P08473 1/20 0.39
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 1/20 0.39

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
SCHEMBL7337919 0.84 YAP1 (0.53) YAP1PPARGACEMMP9MMP8
SCHEMBL7339723 0.84 MMP9 (0.44) YAP1PPARGACEMMP9MMP8
SCHEMBL7338808 0.84 YAP1 (0.45) YAP1ACEMMP9MMP8MME
SCHEMBL7344329 0.83 SLC2A1 (0.47) YAP1PPARGACEMMP9MMP8
SCHEMBL7342356 0.83 YAP1 (0.51) YAP1PPARGACEMMP9MMP8
SCHEMBL7337102 0.82 YAP1 (0.47) YAP1PPARGACEMMP9MMP8
SCHEMBL7342585 0.81 YAP1 (0.47) YAP1PPARGACEMMP9MMP8
SCHEMBL7338579 0.80 UTS2R (0.53) YAP1
SCHEMBL7345272 0.80 UTS2R (0.53) YAP1
SCHEMBL7348163 0.80 PPARG (0.45) YAP1PPARGACEMMP9MMP8

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-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US claimed
US-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US disclosed