SCHEMBL29678643

SCHEMBL29678643

O=C(CC[C@H]1CCNC1=O)C(=O)NC1CC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EPHX1 P07099 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
SCHEMBL30222457 1.00 CCR2 (0.33) CCR2CTSLCTSBNPC1MAPT
SCHEMBL30396402 0.91 CCR2 (0.37) CCR2NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL30222769 0.79 KDM4E (0.36) CCR2NPC1RAB9ASMN1; SMN2
SCHEMBL30174805 0.79 KDM4E (0.36) CCR2NPC1RAB9ASMN1; SMN2
SCHEMBL30192621 0.78 CCR2 (0.31) CCR2
SCHEMBL25313694 0.75 FOLH1 (0.46) CCR2
SCHEMBL25313700 0.75 FOLH1 (0.46) CCR2
SCHEMBL30403540 0.74 PLAAT5 (0.46) CTSLNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL24486583 0.74 GAA (0.35) CCR2MAPT
SCHEMBL30170353 0.74 GAA (0.35) CCR2MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4263502-A1 SARS-COV-2 MPRO INHIBITOR COMPOUNDS Heptares Therapeutics Limited (GB) 2023-10-25 EP claimed
WO-2022129953-A1 SARS-COV-2 MPRO INHIBITOR COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2022-06-23 WO claimed
EP-4380920-A1 INHIBITORS FOR CORONAVIRUSES Cocrystal Pharma, Inc. (US) 2024-06-12 EP disclosed
WO-2023014758-A1 INHIBITORS FOR CORONAVIRUSES COCRYSTAL PHARMA, INC. (US) 2023-02-09 WO disclosed