SCHEMBL7658568

SCHEMBL7658568

COC(=O)c1nc([C@@H](Cc2ccc3ccccc3c2)NC(=O)OC(C)(C)C)sc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.52
CTSS P25774 2/20 0.52
CTSK P43235 2/20 0.52
PTPRB P23467 9/20 0.48
PTPN1 P18031 4/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GHSR Q92847 1/20 0.42
GABRB1 P18505 1/20 0.41
GABRB2 P47870 1/20 0.41
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
AGTR1 P30556 1/20 0.40
HTT P42858 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
SCHEMBL27519418 1.00 CTSB (0.52) CTSBCTSSCTSKPTPRBPTPN1
SCHEMBL27478624 0.93 CTSS (0.53) CTSBCTSSCTSKPTPRBPTPN1
SCHEMBL6600491 0.93 CTSS (0.53) CTSBCTSSCTSKPTPRBPTPN1
SCHEMBL27552033 0.91 CTSS (0.52) CTSBCTSSCTSKPTPRBPTPN1
SCHEMBL6600308 0.91 CTSS (0.52) CTSBCTSSCTSKPTPRBPTPN1
SCHEMBL6599351 0.85 CTSS (0.56) CTSBCTSSCTSKPTPRBPTPN1
SCHEMBL8240165 0.76 CTSS (0.55) CTSBCTSSCTSKPTPRBPTPN1
SCHEMBL6604430 0.75 CTSS (0.44) CTSBCTSSCTSKPTPRBPTPN1
SCHEMBL6600260 0.74 CTSC (0.45) CTSBCTSSCTSKPTPRBPTPN1
SCHEMBL27494688 0.74 CTSC (0.45) CTSBCTSSCTSKPTPRBPTPN1

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
CN-1225471-C Compounds with growth hormone releasing properties NOVO NORDISK AS (DK) 2005-11-02 CN disclosed
US-6350767-B1 GROWTH HORMONE RELEASE STIMULANT NOVO NORDISK A/S (DK) 2002-02-26 US disclosed
CN-1176645-A Compounds with growth hormone releasing properties NOVO NORDISK AS (DK) 1998-03-18 CN disclosed