SCHEMBL416409

SCHEMBL416409

CC(C)CC(N)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CC(C)C)C(=O)NC(CS)C(=O)NC(CO)C(=O)NCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.39
▸ OPRD1 P41143 3/20 0.39
▸ OPRK1 P41145 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ GSTK1 Q9Y2Q3 1/20 0.37
▸ EGFR P00533 1/20 0.36
▸ APLNR P35414 1/20 0.35
▸ PTPN1 P18031 1/20 0.34
▸ BACE1 P56817 1/20 0.34

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
SCHEMBL416410 1.00 OPRM1 (0.39) OPRM1OPRD1OPRK1PTGS1GSTK1
SCHEMBL31258095 0.92 EGFR (0.40) OPRM1OPRD1OPRK1EGFRPTPN1
SCHEMBL31257976 0.92 EGFR (0.40) OPRM1OPRD1OPRK1EGFRPTPN1
SCHEMBL414400 0.91 APLNR (0.41) OPRM1OPRD1EGFRAPLNR
SCHEMBL414401 0.91 APLNR (0.41) OPRM1OPRD1EGFRAPLNR
SCHEMBL31256943 0.90 OPRM1 (0.42) OPRM1OPRD1OPRK1EGFRPTPN1
SCHEMBL415551 0.90 APLNR (0.42) APLNR
SCHEMBL415550 0.90 APLNR (0.42) APLNR
SCHEMBL412323 0.90 APLNR (0.42) APLNR
SCHEMBL412324 0.90 APLNR (0.42) APLNR

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
US-20120020878-A1 FUSOGENIC PROPERTIES OF SAPOSIN C AND RELATED PROTEINS AND PEPTIDES FOR APPLICATION TO TRANSMEMBRANE DRUG DELIVERY SYSTEMS CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2012-01-26 — — US disclosed
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