SCHEMBL20144181

SCHEMBL20144181

N#C[C@@]1(c2ccc3c(N)ncnn23)O[C@H](COCc2ccccc2)C[C@H]1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 2/20 0.34
▸ BACE2 Q9Y5Z0 1/20 0.34
▸ TNK2 Q07912 2/20 0.32
▸ RIPK1 Q13546 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.31
▸ TMPRSS2 O15393 1/20 0.31
▸ CTSL P07711 1/20 0.31
▸ CTSB P07858 1/20 0.31
▸ CTSK P43235 1/20 0.31
▸ EGLN2 Q96KS0 1/20 0.30

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
SCHEMBL18636433 1.00 BACE1 (0.34) BACE1BACE2TNK2RIPK1TAAR1
SCHEMBL10120795 0.91 TNK2 (0.33) TNK2TMPRSS2
SCHEMBL10120799 0.91 TMPRSS2 (0.36) TNK2RIPK1TMPRSS2
SCHEMBL12835932 0.90 BACE1 (0.32) BACE1BACE2CTSLCTSBCTSK
SCHEMBL10082720 0.90 BACE1 (0.34) BACE1BACE2TNK2RIPK1TAAR1
SCHEMBL18636432 0.89 TMPRSS2 (0.36) BACE1BACE2TNK2RIPK1TAAR1
SCHEMBL12243225 0.89 NPC1 (0.35) TNK2RIPK1TMPRSS2
SCHEMBL23823026 0.85 TNK2 (0.34) BACE1BACE2TNK2RIPK1TAAR1
SCHEMBL12243148 0.85 TNK2 (0.34) BACE1BACE2TNK2RIPK1TAAR1
SCHEMBL17712276 0.82 PDE2A (0.35) TMPRSS2

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-3212175-B1 METHODS FOR THE PREPARATION OF RIBOSIDES GILEAD SCIENCES INC (US) 2021-11-24 — — EP disclosed
EP-3212174-B1 METHODS FOR TREATING FILOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES INC (US) 2018-05-16 — — EP disclosed
Send feedback