SCHEMBL8720236

SCHEMBL8720236

CNC(=O)[C@@H](Cc1ccc(I)cc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 2/20 0.42
PTPN11 Q06124 1/20 0.42
YAP1 P46937 3/20 0.39
TACR1 P25103 2/20 0.39
STS P08842 1/20 0.39
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
P2RX7 Q99572 1/20 0.38
GHSR Q92847 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN6 P29350 1/20 0.37
USP30 Q70CQ3 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL8523939 0.84 SLC6A2 (0.41) TACR1GHSR
SCHEMBL8717973 0.83 GHSR (0.43) GHSRPTPN1
SCHEMBL6319971 0.83 YAP1 (0.42) YAP1TACR1STSGHSRUSP30
SCHEMBL7658396 0.82 YAP1 (0.43) PTPRBPTPN11YAP1TACR1STS
SCHEMBL7160870 0.81 CTSB (0.42) TACR1KMT2AGHSR
SCHEMBL6318108 0.80 GHSR (0.46) YAP1GHSR
SCHEMBL7658402 0.79 PTPRB (0.40) PTPRBPTPN11YAP1TACR1STS
SCHEMBL6600960 0.78 USP30 (0.41) PTPRBPTPN11YAP1TACR1STS
SCHEMBL6324706 0.78 GHSR (0.49) YAP1GHSRUSP30
SCHEMBL6324711 0.78 GHSR (0.49) YAP1GHSRUSP30

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
EP-0833845-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1998-04-08 EP disclosed
WO-1997000894-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1997-01-09 WO disclosed