SCHEMBL1401593

SCHEMBL1401593

CN[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC(O)CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.50
CYP51A1 Q16850 4/20 0.49
OPRD1 P41143 1/20 0.47
PYGL P06737 1/20 0.43
CAPN1 P07384 2/20 0.43
CTSB P07858 1/20 0.43
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
TACR1 P25103 8/20 0.41
GHSR Q92847 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
SCHEMBL1401582 0.94 F2 (0.48) F2CYP51A1OPRD1PYGLTACR1
SCHEMBL1401268 0.92 OPRD1 (0.48) F2CYP51A1OPRD1CAPN1CTSB
SCHEMBL1401188 0.92 OPRD1 (0.44) F2OPRD1CAPN1CTSBMMP9
SCHEMBL3361699 0.90 CYP51A1 (0.46) F2CYP51A1OPRD1PYGL
SCHEMBL1401284 0.89 HSD17B10 (0.47) F2CAPN1MMP9MMP8GHSR
SCHEMBL1401110 0.86 TACR1 (0.42) F2TACR1
SCHEMBL1401107 0.86 TACR1 (0.42) F2TACR1
SCHEMBL1401075 0.84 TACR1 (0.47) TACR1
SCHEMBL1401262 0.83 F10 (0.43) CAPN1TACR1GHSR
SCHEMBL3266844 0.81 GHSR (0.48) F2CAPN1CTSBMMP9MMP8

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
EP-1100824-B1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK AS (DK) 2011-03-02 EP claimed
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