SCHEMBL7340760

SCHEMBL7340760

CC(C[CH]C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCCCC1)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 7/20 0.50
DPP7 Q9UHL4 1/20 0.50
PPARG P37231 3/20 0.49
FPR2 P25090 3/20 0.46
YAP1 P46937 1/20 0.44
ACE P12821 2/20 0.44
MME P08473 1/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44

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
SCHEMBL7348694 0.92 PPARG (0.48) CACNA1BPPARGYAP1ACEMME
SCHEMBL7335997 0.92 PPARG (0.50) CACNA1BPPARGYAP1ACEMME
SCHEMBL7345173 0.92 CALCRL (0.50) CACNA1BPPARGYAP1
SCHEMBL7343533 0.92 PPARG (0.45) CACNA1BDPP7PPARGYAP1ACE
SCHEMBL7338702 0.91 PPARG (0.47) CACNA1BDPP7PPARGYAP1ACE
SCHEMBL7341214 0.91 PPARG (0.47) PPARGYAP1ACEMMECPA1
SCHEMBL7339837 0.91 PPARG (0.47) CACNA1BPPARGYAP1ACEMME
SCHEMBL7343476 0.91 YAP1 (0.47) CACNA1BPPARGYAP1ACE
SCHEMBL7343410 0.91 FAAH (0.50) CACNA1BPPARG
SCHEMBL7347680 0.89 MEN1 (0.46) CACNA1BPPARGYAP1ACE

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