SCHEMBL7896282

SCHEMBL7896282

CN(C)CC1CCN(C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(C)(C)C/C=C/C(=O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 6/20 0.50
OPRD1 P41143 1/20 0.38
TACR1 P25103 7/20 0.37
P2RX7 Q99572 1/20 0.37

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
SCHEMBL1401188 0.84 OPRD1 (0.44) GHSROPRD1TACR1P2RX7
SCHEMBL1401356 0.83 GHSR (0.55) GHSROPRD1TACR1P2RX7
SCHEMBL867658 0.83 GHSR (0.55) GHSROPRD1TACR1P2RX7
SCHEMBL867659 0.83 GHSR (0.55) GHSROPRD1TACR1P2RX7
SCHEMBL1401111 0.83 GHSR (0.53) GHSRTACR1P2RX7
SCHEMBL1401113 0.83 GHSR (0.53) GHSRTACR1P2RX7
SCHEMBL1401157 0.79 P2RX7 (0.41) GHSROPRD1TACR1P2RX7
SCHEMBL3394198 0.78 TACR1 (0.38) GHSRTACR1
SCHEMBL12809320 0.77 OPRD1 (0.42) GHSROPRD1TACR1P2RX7
SCHEMBL1401107 0.77 TACR1 (0.42) TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100824-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 2001-05-23 EP disclosed
WO-2000001726-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 2000-01-13 WO disclosed