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SCHEMBL8808113

SCHEMBL8808113

CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(N)=O)C(N)=O

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 16/20 0.70
▸ NMUR1 Q9HB89 15/20 0.70
▸ KISS1R Q969F8 1/20 0.65
▸ OPRM1 P35372 2/20 0.60
▸ OPRK1 P41145 2/20 0.60

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
SCHEMBL8808129 1.00 NMUR2 (0.70) NMUR2NMUR1KISS1ROPRM1OPRK1
SCHEMBL29972993 0.92 NMUR2 (0.60) NMUR2NMUR1KISS1R
SCHEMBL29604784 0.91 OPRM1 (0.63) NMUR2NMUR1KISS1ROPRM1OPRK1
SCHEMBL31187483 0.91 NMUR2 (0.63) NMUR2NMUR1KISS1ROPRM1OPRK1
Hydrochloric Acid SCHEMBL11665303 0.91 NMUR2 (0.58) NMUR2NMUR1KISS1ROPRM1OPRK1
SCHEMBL30498687 0.90 OPRM1 (0.63) NMUR2NMUR1KISS1ROPRM1OPRK1
SCHEMBL31105502 0.90 NMUR2 (0.72) NMUR2NMUR1OPRM1
SCHEMBL31307220 0.89 NMUR2 (0.60) NMUR2NMUR1OPRM1OPRK1
SCHEMBL2632668 0.89 NMUR2 (0.73) NMUR2NMUR1OPRM1OPRK1
SCHEMBL29973451 0.89 NMUR2 (0.60) NMUR2NMUR1KISS1ROPRM1OPRK1

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-0616550-B1 UNIVERSAL COLLISIONAL ACTIVATION ION TRAP MASS SPECTROMETRY LOCKHEED MARTIN ENERGY SYS INC (US) 1997-08-27 — — EP disclosed
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