SCHEMBL8905882

SCHEMBL8905882

CCC(C)(N)C=CC(=O)N(C)[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)NCC(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 8/20 0.49
TACR1 P25103 1/20 0.35
KLKB1 P03952 1/20 0.34
KLK1 P06870 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
PSMB5 P28074 1/20 0.34

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
SCHEMBL6318261 0.88 GHSR (0.58) GHSRTACR1CTSBCTSSCTSK
SCHEMBL6318245 0.88 GHSR (0.58) GHSRTACR1CTSBCTSSCTSK
SCHEMBL8905238 0.85 GHSR (0.46) GHSRKLKB1KLK1CTSBCTSS
SCHEMBL8905746 0.84 GHSR (0.48) GHSRTACR1CTSBCTSSCTSK
SCHEMBL17231305 0.81 GHSR (0.57) GHSRCTSBCTSSCTSKPSMB5
SCHEMBL6318464 0.81 CTSB (0.45) GHSRTACR1CTSBCTSSCTSK
SCHEMBL6321288 0.80 GHSR (0.57) GHSRCTSBCTSSCTSK
SCHEMBL6321276 0.80 GHSR (0.57) GHSRCTSBCTSSCTSK
SCHEMBL6319059 0.79 GHSR (0.61) GHSRKLKB1KLK1
SCHEMBL6319056 0.79 GHSR (0.61) GHSRKLKB1KLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997023508-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1997-07-03 WO claimed