Sugi Predict

Sugi Predict / Compounds / Bezitramide

Bezitramide

Bezitramide

SCHEMBL466257

CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCc2ccccc2)CC1.CCC(=O)n1c(=O)n(C2CCN(CCC(C#N)(c3ccccc3)c3ccccc3)CC2)c2ccccc21

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 13/20 0.57
▸ OPRD1 P41143 4/20 0.57
▸ OPRK1 P41145 2/20 0.57
▸ CACNA1C Q13936 1/20 0.48
▸ OPRL1 P41146 1/20 0.45
▸ KCNA3 P22001 1/20 0.45

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
Bezitramide SCHEMBL25733 0.81 OPRM1 (0.55) OPRM1OPRL1KCNA3
Bezitramide SCHEMBL29387545 0.81 OPRM1 (0.55) OPRM1OPRL1KCNA3
[11C]-Carfentanil SCHEMBL29374424 0.76 OPRM1 (1.00) OPRM1OPRD1OPRK1CACNA1COPRL1
Carfentanil SCHEMBL116222 0.76 OPRM1 (1.00) OPRM1OPRD1OPRK1CACNA1COPRL1
Carfentanil SCHEMBL4256090 0.75 OPRM1 (0.98) OPRM1OPRD1OPRK1CACNA1COPRL1
Carfentanil SCHEMBL238456 0.75 OPRM1 (0.98) OPRM1OPRD1OPRK1CACNA1COPRL1
Carfentanil SCHEMBL9737212 0.74 OPRM1 (0.96) OPRM1OPRD1OPRK1CACNA1COPRL1
Carfentanil SCHEMBL16444962 0.73 OPRM1 (0.89) OPRM1OPRD1OPRK1CACNA1COPRL1
Bezitramide SCHEMBL28086670 0.73 OPRM1 (0.52) OPRM1OPRD1OPRK1OPRL1KCNA3
Carfentanil SCHEMBL4385304 0.71 OPRM1 (0.89) OPRM1OPRD1OPRK1CACNA1COPRL1

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
EP-2405914-A1 COMPOSITIONS AND METHODS FOR PROPHYLAXIS AND TREATMENT OF ADDICTIONS Omeros Corporation (US) 2012-01-18 — — EP disclosed
WO-2010105103-A1 COMPOSITIONS AND METHODS FOR PROPHYLAXIS AND TREATMENT OF ADDICTIONS OMEROS CORPORATION (US) 2010-09-16 — — WO disclosed