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SCHEMBL15510229

SCHEMBL15510229

O=C(N[C@H]1CCCCC/C=C\C2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](Oc3nc4ccccc4c4ccccc34)CN2C1=O)c1cnccn1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.44
▸ ADRB3 P13945 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ CYP3A4 P08684 2/20 0.38
▸ CTSS P25774 1/20 0.38

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
SCHEMBL3074441 1.00 CTSB (0.44) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL3074436 1.00 CTSB (0.44) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL9960824 1.00 CTSB (0.44) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL11888722 0.94 CTSB (0.41) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL7902222 0.94 CTSB (0.41) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL2798114 0.93 CTSB (0.40) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL2798118 0.93 CTSB (0.40) CTSBADRB3ADRA2BADRA2CCYP3A4
Paritaprevir SCHEMBL3069969 0.92 CTSB (0.45) CTSBADRB3ADRA2BADRA2CCYP3A4
Paritaprevir SCHEMBL16541443 0.92 CTSB (0.45) CTSBADRB3ADRA2BADRA2CCYP3A4
Paritaprevir SCHEMBL18923192 0.92 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
EP-2340029-B1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2014-03-05 — — EP claimed
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