SCHEMBL9728009

SCHEMBL9728009

CC(C)C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)CC(=O)Nc1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 5/20 0.53
▸ NMUR1 Q9HB89 5/20 0.53
▸ EPHA2 P29317 4/20 0.51
▸ RAMP3 O60896 1/20 0.50
▸ CALCR P30988 1/20 0.50
▸ KDM1A O60341 1/20 0.47
▸ NTSR2 O95665 1/20 0.47
▸ NTSR1 P30989 1/20 0.47
▸ OPRM1 P35372 7/20 0.47
▸ OPRK1 P41145 6/20 0.47
▸ OPRD1 P41143 1/20 0.47

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
SCHEMBL10586963 0.85 NMUR2 (0.57) NMUR2NMUR1EPHA2OPRM1OPRK1
SCHEMBL29390426 0.83 OPRM1 (0.61) NMUR2NMUR1EPHA2RAMP3CALCR
SCHEMBL31307275 0.83 RAMP3 (0.62) NMUR2NMUR1EPHA2RAMP3CALCR
SCHEMBL9852755 0.83 NMUR2 (0.47) NMUR2NMUR1EPHA2KDM1ANTSR2
SCHEMBL9852750 0.82 NPY4R (0.58) NMUR2NMUR1EPHA2OPRM1OPRD1
SCHEMBL30293724 0.82 NPY4R (0.56) NMUR2NMUR1EPHA2OPRM1
SCHEMBL30634740 0.81 NMUR2 (0.65) NMUR2NMUR1EPHA2NTSR2NTSR1
SCHEMBL10588690 0.80 NPY4R (0.61) NMUR2NMUR1
SCHEMBL9632015 0.79 EPHA2 (0.56) NMUR2NMUR1EPHA2KDM1AOPRM1
SCHEMBL30680640 0.79 NMUR2 (0.61) NMUR2NMUR1EPHA2RAMP3CALCR

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
US-5140009-A Stable against proteolytic enzymes; anticarcinogenic agents; urogenital disorders TAP PHARMACEUTICALS, INC. (US) 1992-08-18 — — US disclosed
EP-0328089-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 — — EP disclosed
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