SCHEMBL7339909

SCHEMBL7339909

CC(=O)NC1CCN(C(=O)C(Cc2ccc(OCc3ccccc3)cc2)NC(=O)[CH]CC(C)C(N)=O)C1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.45
CACNA1B Q00975 4/20 0.45
LTA4H P09960 2/20 0.44
YAP1 P46937 10/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL7343476 0.87 YAP1 (0.47) PPARGCACNA1BYAP1
SCHEMBL7347680 0.86 MEN1 (0.46) PPARGCACNA1BYAP1TSHR
SCHEMBL7346368 0.86 CACNA1B (0.47) PPARGCACNA1BYAP1
SCHEMBL7347985 0.86 YAP1 (0.50) PPARGCACNA1BYAP1
SCHEMBL7335997 0.86 PPARG (0.50) PPARGCACNA1BYAP1
SCHEMBL7345173 0.85 CALCRL (0.50) PPARGCACNA1BYAP1
SCHEMBL7338892 0.85 YAP1 (0.44) PPARGCACNA1BYAP1
SCHEMBL7340760 0.85 CACNA1B (0.50) PPARGCACNA1BYAP1
SCHEMBL7348694 0.84 PPARG (0.48) PPARGCACNA1BYAP1
SCHEMBL7345181 0.83 KMT2A (0.49) PPARGYAP1

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