SCHEMBL7337102

SCHEMBL7337102

CCCN1CCCC(NC(=O)C(Cc2ccc(OCc3ccccc3)cc2)NC(=O)[CH]CC(C)C(N)=O)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.47
KDM2B Q8NHM5 1/20 0.43
LTA4H P09960 3/20 0.42
EPHX2 P34913 1/20 0.42
UTS2R Q9UKP6 1/20 0.41
PLG P00747 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
PPARG P37231 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
TSHR P16473 1/20 0.40
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
CPA1 P15085 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL7342585 0.92 YAP1 (0.47) YAP1LTA4HEPHX2UTS2RPPARG
SCHEMBL7345272 0.88 UTS2R (0.53) YAP1UTS2RCHRM2CHRM1CHRM3
SCHEMBL7338579 0.88 UTS2R (0.53) YAP1UTS2RCHRM2CHRM1CHRM3
SCHEMBL7342356 0.87 YAP1 (0.51) YAP1PLGPRSS1PRSS2PRSS3
SCHEMBL7337919 0.86 YAP1 (0.53) YAP1PLGPRSS1PRSS2PRSS3
SCHEMBL7337109 0.84 YAP1 (0.49) YAP1KDM2BLTA4HEPHX2UTS2R
SCHEMBL7367718 0.83 KDM2B (0.52) YAP1KDM2BLTA4HEPHX2KDM4E
SCHEMBL7338801 0.82 YAP1 (0.43) YAP1PPARGMMEACECPA1
SCHEMBL7345870 0.82 TACR2 (0.50) PLGPRSS1PRSS2PRSS3PPARG
SCHEMBL7348163 0.82 PPARG (0.45) YAP1PLGPRSS1PRSS2PRSS3

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