SCHEMBL7169394

SCHEMBL7169394

CN(CCc1ccncc1)C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 8/20 0.55
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
TACR1 P25103 2/20 0.37
ABHD6 Q9BV23 1/20 0.35

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
SCHEMBL7647039 0.92 GHSR (0.63) GHSRLTB4RLTB4R2CTSBCTSS
SCHEMBL6661365 0.88 GHSR (0.50) GHSRLTB4RLTB4R2CTSBCTSS
SCHEMBL7968541 0.86 GHSR (0.56) GHSRLTB4RLTB4R2CTSBCTSS
SCHEMBL7648623 0.86 GHSR (0.56) GHSRLTB4RLTB4R2CTSBCTSS
SCHEMBL6317705 0.84 GHSR (0.48) GHSRCTSBCTSSCTSK
SCHEMBL3266843 0.82 GHSR (0.47) GHSRCTSBCTSSCTSKTACR1
SCHEMBL7169435 0.82 GHSR (0.72) GHSRLTB4RLTB4R2TACR1
SCHEMBL7169439 0.82 GHSR (0.72) GHSRLTB4RLTB4R2TACR1
SCHEMBL7649242 0.81 GHSR (0.69) GHSRLTB4RLTB4R2CTSBCTSS
SCHEMBL4428281 0.81 GHSR (0.49) GHSRCTSBCTSSCTSK

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-6566337-B1 Compounds with growth hormone releasing properties NOVO NORDISK A/S (DK) 2003-05-20 US disclosed
EP-1127071-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES Novo Nordisk A/S (DK) 2001-08-29 EP disclosed
WO-2000026252-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 2000-05-11 WO disclosed