SCHEMBL5617037

SCHEMBL5617037

COCC1(N(CCCc2ccccc2)C(=O)CC(O)(CC(=O)O)C(=O)O)CCN(CCc2cccs2)CC1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.59
SLC22A1 O15245 1/20 0.59
ABCB1 P08183 1/20 0.59
OPRD1 P41143 5/20 0.49
OPRK1 P41145 3/20 0.49
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
KMT2A Q03164 1/20 0.43

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
Sufentanil SCHEMBL6057143 0.83 OPRM1 (0.85) OPRM1SLC22A1ABCB1OPRD1OPRK1
Sufentanil SCHEMBL192322 0.83 OPRM1 (0.85) OPRM1SLC22A1ABCB1OPRD1OPRK1
Sufentanil SCHEMBL41227 0.83 OPRM1 (0.85) OPRM1SLC22A1ABCB1OPRD1OPRK1
Citric Acid SCHEMBL10841118 0.82 OPRM1 (0.55) OPRM1SLC22A1ABCB1OPRD1OPRK1
Citric Acid SCHEMBL10841111 0.82 OPRM1 (0.55) OPRM1SLC22A1ABCB1OPRD1OPRK1
Citric Acid SCHEMBL28501611 0.80 OPRM1 (0.67) OPRM1SLC22A1ABCB1OPRD1OPRK1
Citric Acid SCHEMBL10971572 0.77 OPRM1 (0.70) OPRM1SLC22A1ABCB1OPRD1OPRK1
Sufentanil SCHEMBL26728 0.74 OPRM1 (1.00) OPRM1SLC22A1ABCB1OPRD1OPRK1
Sufentanil SCHEMBL27722103 0.74 OPRM1 (1.00) OPRM1SLC22A1ABCB1OPRD1OPRK1
Sufentanil SCHEMBL28432948 0.74 OPRM1 (0.98) OPRM1SLC22A1ABCB1OPRD1OPRK1

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-20140296830-A1 METHODS OF ADMINISTERING DRUGS IN AN IMPLANTABLE MULTI-CHAMBER PUMP Jazz Pharmaceuticals, Inc. (US) 2014-10-02 US disclosed
US-20070270353-A1 Intrathecal administration of ziconotide, an Omega-conopeptide, and the anitoxidant methionine, and an analgesic selected from morphine, hydromorphone, fentanyl, sufentanil, and buprenorphine; ziconotide retains its potency and is physically and chemically compatible with the analgesic ELLIS DAVID J 2007-11-22 US disclosed