SCHEMBL29601227

SCHEMBL29601227

CCOC(=O)CNC(=O)c1ccc(OC2CCOCC2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CSF1R P07333 4/20 0.42
FLT3 P36888 4/20 0.42
PDGFRB P09619 1/20 0.42
KIT P10721 1/20 0.42
PDGFRA P16234 1/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
ALDH1A1 P00352 1/20 0.40
RAF1 P04049 1/20 0.40
BRAF P15056 1/20 0.40
EPHX2 P34913 1/20 0.40
P2RX3 P56373 2/20 0.40
P2RX2 Q9UBL9 2/20 0.40
LIPG Q9Y5X9 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL27039782 1.00 GRM5 (0.44) GRM5NPC1RAB9ASMN1; SMN2CSF1R
SCHEMBL29078712 0.85 EGLN1 (0.47) GRM5NPC1RAB9ACSF1RFLT3
SCHEMBL29601242 0.85 EGLN1 (0.47) GRM5NPC1RAB9ACSF1RFLT3
SCHEMBL29601352 0.79 SMN1; SMN2 (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL27039815 0.79 SMN1; SMN2 (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL29601359 0.79 GRM5 (0.47) GRM5NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL27039798 0.77 GRM5 (0.42) GRM5CSF1RFLT3PDGFRBKIT
SCHEMBL29601311 0.77 MAPK1 (0.48) GRM5CSF1RFLT3EPHX2
SCHEMBL29601804 0.75 KDM4E (0.47) GRM5SMN1; SMN2CSF1RFLT3GLA
SCHEMBL29078774 0.75 KDM4E (0.47) GRM5SMN1; SMN2CSF1RFLT3GLA

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-4232449-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES Celgene Corporation (US) 2023-08-30 EP disclosed
WO-2022087326-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CELGENE CORPORATION (US) 2022-04-28 WO disclosed