Paritaprevir

Paritaprevir

SCHEMBL18923192

Cc1cnc(C(=O)NC2CCCCC/C=C\C3C[C@@]3(C(=O)NS(=O)(=O)C3CC3)NC(=O)[C@@H]3C[C@@H](Oc4nc5ccccc5c5ccccc45)CN3C2=O)cn1

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

NS3NS4A

The experimentally established mechanism targets of Paritaprevir. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.45
▸ ADRB3 P13945 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ CYP3A4 P08684 2/20 0.39
▸ CTSS P25774 1/20 0.39

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
Paritaprevir SCHEMBL25744892 1.00 CTSB (0.45) CTSBADRB3ADRA2BADRA2CCYP3A4
Paritaprevir SCHEMBL29359149 1.00 CTSB (0.45) CTSBADRB3ADRA2BADRA2CCYP3A4
Paritaprevir SCHEMBL3061958 1.00 CTSB (0.45) CTSBADRB3ADRA2BADRA2CCYP3A4
Paritaprevir SCHEMBL3061962 1.00 CTSB (0.45) CTSBADRB3ADRA2BADRA2CCYP3A4
Paritaprevir SCHEMBL3069969 1.00 CTSB (0.45) CTSBADRB3ADRA2BADRA2CCYP3A4
Paritaprevir SCHEMBL3069964 1.00 CTSB (0.45) CTSBADRB3ADRA2BADRA2CCYP3A4
Paritaprevir SCHEMBL18713503 1.00 CTSB (0.45) CTSBADRB3ADRA2BADRA2CCYP3A4
Paritaprevir SCHEMBL16541443 1.00 CTSB (0.45) CTSBADRB3ADRA2BADRA2CCYP3A4
Paritaprevir SCHEMBL19286688 1.00 CTSB (0.45) CTSBADRB3ADRA2BADRA2CCYP3A4
Paritaprevir SCHEMBL20145316 1.00 CTSB (0.45) CTSBADRB3ADRA2BADRA2CCYP3A4

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-9670205-B2 Toll like receptor modulator compounds GILEAD SCIENCES, INC. (US) 2017-06-06 — — US disclosed
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