SCHEMBL7658396

SCHEMBL7658396

CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=S

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.43
CTSB P07858 2/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
CAPN1 P07384 2/20 0.41
PTPRB P23467 2/20 0.41
PTPN11 Q06124 1/20 0.41
STS P08842 2/20 0.40
TACR1 P25103 1/20 0.40
MAPK1 P28482 1/20 0.40
USP30 Q70CQ3 2/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL7660423 0.84 SLC6A2 (0.42) CAPN1TACR1
SCHEMBL7658402 0.83 PTPRB (0.40) YAP1PTPRBPTPN11STSTACR1
SCHEMBL7661897 0.83 CTSB (0.50) CTSBCTSSCTSKTACR1
SCHEMBL8720236 0.82 PTPRB (0.42) YAP1PTPRBPTPN11STSTACR1
SCHEMBL6162914 0.77 MAPK1 (0.62) YAP1CTSBCTSSCTSKCAPN1
SCHEMBL6162909 0.77 MAPK1 (0.62) YAP1CTSBCTSSCTSKCAPN1
SCHEMBL6600960 0.75 USP30 (0.41) YAP1PTPRBPTPN11STSTACR1
SCHEMBL7658151 0.74 CTSS (0.67) CTSBCTSSCTSKTACR1
SCHEMBL6168383 0.71 MAPK1 (0.51) YAP1CTSBCAPN1STSTACR1
SCHEMBL6168374 0.71 MAPK1 (0.51) YAP1CTSBCAPN1STSTACR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6350767-B1 GROWTH HORMONE RELEASE STIMULANT NOVO NORDISK A/S (DK) 2002-02-26 US disclosed
US-6013658-A ANIMAL GROWTH REGULATORS NOVO NORDISK A/S (DK) 2000-01-11 US disclosed
WO-1996022997-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1996-08-01 WO disclosed