SCHEMBL10774369

SCHEMBL10774369

CC(C)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O)N(C(=O)[C@H](N)Cc1ccc2ccccc2c1)C(=O)[C@@H](N)Cc1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 13/20 0.58
▸ NMUR1 Q9HB89 13/20 0.58
▸ OPRM1 P35372 4/20 0.48
▸ GNRHR P30968 2/20 0.48
▸ DRD1 P21728 1/20 0.48
▸ MRGPRX2 Q96LB1 1/20 0.48
▸ ABCB11 O95342 1/20 0.48
▸ OPRK1 P41145 3/20 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
SCHEMBL9353686 0.88 KISS1R (0.55) NMUR2NMUR1GNRHR
SCHEMBL10701549 0.88 NMUR2 (0.53) NMUR2NMUR1OPRM1GNRHRDRD1
SCHEMBL10784514 0.86 NMUR2 (0.56) NMUR2NMUR1
SCHEMBL31351849 0.83 NMUR2 (0.59) NMUR2NMUR1OPRM1
SCHEMBL10779510 0.82 C5AR1 (0.58) NMUR2NMUR1GNRHR
SCHEMBL30259519 0.82 NMUR2 (0.57) NMUR2NMUR1OPRM1GNRHROPRK1
SCHEMBL9852717 0.81 NMUR2 (0.60) NMUR2NMUR1OPRM1GNRHRDRD1
Hydrochloric Acid SCHEMBL11644061 0.81 OPRK1 (0.56) NMUR2NMUR1OPRM1OPRK1
SCHEMBL9645050 0.81 NMUR2 (0.47) NMUR2NMUR1OPRM1OPRK1
SCHEMBL31072476 0.80 NMUR2 (0.59) NMUR2NMUR1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0246653-A2 Delayed/sustained release of macromolecules SYNTEX (U.S.A.) INC. (US) 1987-11-25 — — EP disclosed
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