SCHEMBL3392487

SCHEMBL3392487

CN[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N(C)C1CCN(C)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.45
CAPN1 P07384 1/20 0.43
GHSR Q92847 2/20 0.42
TACR1 P25103 4/20 0.42
F10 P00742 1/20 0.42
PLG P00747 1/20 0.42
PLAT P00750 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41

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
SCHEMBL1401284 0.84 HSD17B10 (0.47) F2CAPN1GHSRF10PLG
SCHEMBL1401268 0.84 OPRD1 (0.48) F2CAPN1GHSRTACR1MMP9
SCHEMBL3266844 0.83 GHSR (0.48) F2CAPN1GHSRMMP9MMP8
SCHEMBL6320694 0.83 MMP9 (0.56) F2GHSRMMP9MMP8
SCHEMBL8235025 0.82 GHSR (0.49) F2GHSRMMP9MMP8
SCHEMBL1401593 0.81 F2 (0.50) F2CAPN1GHSRTACR1MMP9
SCHEMBL3268068 0.81 GHSR (0.44) F2CAPN1GHSRTACR1MMP9
SCHEMBL6316765 0.81 BDKRB2 (0.45) F2CAPN1GHSRTACR1MMP9
SCHEMBL1401188 0.80 OPRD1 (0.44) F2CAPN1GHSRTACR1F10
SCHEMBL4427112 0.80 FCER2 (0.53) F2GHSRTACR1MMP9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1789067-B8 Use of growth hormone secretagogues for stimulating the motility of the gastrointestinal system HELSINN HEALTHCARE SA (CH) 2012-08-15 EP disclosed
EP-2146732-A1 METHODS OF TREATING OR PREVENTING EMESIS USING GROWTH HORMONE SECRETAGOGUES Helsinn Therapeutics (U.S.), Inc. (US) 2010-01-27 EP disclosed
WO-2008124183-A1 METHODS OF TREATING OR PREVENTING EMESIS USING GROWTH HORMONE SECRETAGOGUES HELSINN THERAPEUTICS (U.S.), INC. (US) 2008-10-16 WO disclosed
EP-1789067-A2 METHOD OF STIMULATING THE MOTILITY OF THE GASTROINTESTINAL SYSTEM USING GROWTH HORMONE SECRETAGOGUES Sapphire Therapeutics, Inc. (US) 2007-05-30 EP disclosed
WO-2006020930-A2 METHOD OF STIMULATING THE MOTILITY OF THE GASTROINTESTINAL SYSTEM USING GROWTH HORMONE SECRETAGOGUES SAPPHIRE THERAPEUTICS, INC. (US) 2006-02-23 WO disclosed