SCHEMBL30396402

SCHEMBL30396402

O=C(CC[C@@H]1CCCNC1=O)C(=O)NC1CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 13/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
HTT P42858 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CXCR4 P61073 1/20 0.33

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
SCHEMBL30222457 0.91 CCR2 (0.33) CCR2NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL29678643 0.91 CCR2 (0.33) CCR2NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL30403301 0.79 L3MBTL1 (0.38) CCR2L3MBTL1HTTCCR1CCR5
SCHEMBL29015392 0.77 FOLH1 (0.51) CCR2L3MBTL1HTT
SCHEMBL29015390 0.77 FOLH1 (0.51) CCR2L3MBTL1HTT
SCHEMBL7351109 0.75 L3MBTL1 (0.40) CCR2L3MBTL1HTTCCR1CCR5
SCHEMBL30402698 0.75 CCR2 (0.40) CCR2L3MBTL1
SCHEMBL30140717 0.74 L3MBTL1 (0.39) CCR2L3MBTL1HTT
SCHEMBL30403414 0.71 L3MBTL1 (0.39) CCR2L3MBTL1HTT
SCHEMBL30174805 0.70 KDM4E (0.36) CCR2L3MBTL1NPC1RAB9ASMN1; 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
EP-4165037-A1 ANTI-VIRAL COMPOUNDS FOR TREATING CORONAVIRUS, PICORNAVIRUS, AND NOROVIRUS INFECTIONS Aligos Therapeutics, Inc. (US) 2023-04-19 EP disclosed