SCHEMBL8563933

SCHEMBL8563933

CC(C)CCN(CC(O)[C@H](Cc1ccccc1)NC(=O)CC(NC(=O)c1ccc2ccccc2n1)C(N)=O)C(=O)NC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.49
ABCC3 O15438 1/20 0.49
ABCC4 O15439 1/20 0.49
CACNA1F O60840 1/20 0.49
ABCB11 O95342 1/20 0.49
ABCB1 P08183 1/20 0.49
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.49
TACR2 P21452 1/20 0.49
TBXAS1 P24557 1/20 0.49
OPRM1 P35372 1/20 0.49
DRD3 P35462 1/20 0.49
AVPR1A P37288 1/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
HTR2B P41595 1/20 0.49
CACNA1D Q01668 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KCNH2 Q12809 1/20 0.49
CACNA1S Q13698 1/20 0.49

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
SCHEMBL5689588 0.90 CYP3A4 (0.60) CYP3A4ABCC3ABCC4CACNA1FABCB11
SCHEMBL6224163 0.90 CYP3A4 (0.60) CYP3A4ABCC3ABCC4CACNA1FABCB11
SCHEMBL6714553 0.85 CCR1 (0.51) CYP3A4ABCC3ABCC4CACNA1FABCB11
Telinavir SCHEMBL31107105 0.84 CYP3A4 (0.59) CYP3A4ABCC3ABCC4CACNA1FABCB11
Telinavir SCHEMBL402508 0.84 CYP3A4 (0.59) CYP3A4ABCC3ABCC4CACNA1FABCB11
Telinavir SCHEMBL623164 0.84 CYP3A4 (0.59) CYP3A4ABCC3ABCC4CACNA1FABCB11
Telinavir SCHEMBL2773923 0.84 CYP3A4 (0.59) CYP3A4ABCC3ABCC4CACNA1FABCB11
Telinavir SCHEMBL29450575 0.84 CYP3A4 (0.59) CYP3A4ABCC3ABCC4CACNA1FABCB11
Telinavir SCHEMBL6361258 0.84 CYP3A4 (0.59) CYP3A4ABCC3ABCC4CACNA1FABCB11
Telinavir SCHEMBL4432111 0.84 CYP3A4 (0.59) CYP3A4ABCC3ABCC4CACNA1FABCB11

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-0558630-B1 RETROVIRAL PROTEASE INHIBITORS MONSANTO CO (US) 1998-04-08 EP claimed