SCHEMBL23047661

SCHEMBL23047661

C[C@]1(c2ccc3c(N)ncnn23)CCC(CO)O1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 1/20 0.32
▸ PIK3CD O00329 2/20 0.31
▸ POLRMT O00411 1/20 0.31
▸ RIPK1 Q13546 1/20 0.31
▸ TMPRSS2 O15393 1/20 0.30
▸ TNK2 Q07912 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
SCHEMBL807536 1.00 ACVRL1 (0.32) ACVRL1PIK3CDPOLRMTRIPK1TMPRSS2
SCHEMBL18666834 1.00 ACVRL1 (0.32) ACVRL1PIK3CDPOLRMTRIPK1TMPRSS2
SCHEMBL24790993 0.84 TMPRSS2 (0.36) TMPRSS2
SCHEMBL24789459 0.83 RIPK1 (0.33) PIK3CDPOLRMTRIPK1
SCHEMBL4971072 0.82 SMN1; SMN2 (0.33) —
SCHEMBL24789410 0.82 RIPK1 (0.32) ACVRL1RIPK1TMPRSS2
SCHEMBL4970753 0.81 TMPRSS2 (0.36) ACVRL1PIK3CDTMPRSS2TNK2
SCHEMBL10142076 0.81 TMPRSS2 (0.36) ACVRL1PIK3CDTMPRSS2TNK2
SCHEMBL18666907 0.81 TMPRSS2 (0.36) ACVRL1PIK3CDTMPRSS2TNK2
SCHEMBL18666854 0.81 TNK2 (0.35) TNK2

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-3785717-A1 METHODS FOR TREATING CORONAVIRIDAE INFECTIONS Gilead Sciences, Inc. (US) 2021-03-03 — — EP disclosed
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