SCHEMBL22858735

SCHEMBL22858735

CCCC(=O)NC1CCCCC1O

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.50
CNR1 P21554 8/20 0.50
CNR2 P34972 8/20 0.50
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL4341647 1.00 TRPV1 (0.50) TRPV1CNR1CNR2L3MBTL1SMN1; SMN2
SCHEMBL30526487 1.00 TRPV1 (0.50) TRPV1CNR1CNR2L3MBTL1SMN1; SMN2
SCHEMBL22859155 0.96 TRPV1 (0.50) TRPV1CNR1CNR2L3MBTL1
SCHEMBL22858805 0.96 TRPV1 (0.50) TRPV1CNR1CNR2L3MBTL1
SCHEMBL4342108 0.96 TRPV1 (0.50) TRPV1CNR1CNR2L3MBTL1
SCHEMBL30526484 0.89 TRPV1 (0.60) TRPV1CNR1CNR2SMN1; SMN2
SCHEMBL22858818 0.89 TRPV1 (0.53) TRPV1CNR1CNR2L3MBTL1
SCHEMBL776312 0.88 L3MBTL1 (0.48) TRPV1CNR1CNR2L3MBTL1SMN1; SMN2
SCHEMBL30526486 0.88 TRPV1 (0.68) TRPV1CNR1CNR2SMN1; SMN2
SCHEMBL4135884 0.86 TRPV1 (0.71) TRPV1CNR1CNR2SMN1; SMN2

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
WO-2021000925-A1 PYRROLO [2, 3-b] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2021-01-07 WO disclosed