SCHEMBL29619003

SCHEMBL29619003

Cc1noc(C)c1-c1cc(NC(=O)C2CC2)ccc1OC1CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GPR119 Q8TDV5 1/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
PDE4B Q07343 1/20 0.38
PIK3CD O00329 3/20 0.37
PIK3CA P42336 2/20 0.37

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
SCHEMBL29619071 0.93 NPC1 (0.45) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL29619018 0.87 POLB (0.46) POLBMAPTLMNASMN1; SMN2ABL1
SCHEMBL29619188 0.85 POLB (0.44) RAB9APOLBMAPTLMNASMN1; SMN2
SCHEMBL29619054 0.84 GPR119 (0.45) GPR119PDE4BPIK3CDPIK3CAPIK3CB
SCHEMBL24398707 0.83 GPR119 (0.42) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL29619152 0.82 POLB (0.47) NPC1RAB9APOLBMAPTLMNA
SCHEMBL31663787 0.82 PIK3CD (0.53) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL29619007 0.81 GPR119 (0.43) GPR119MAPTLMNASMN1; SMN2PDE4B
SCHEMBL29619161 0.80 BCL9 (0.48) POLB
SCHEMBL29619045 0.80 BCL9 (0.48) POLB

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-4236942-A1 ISOXAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2023-09-06 EP disclosed
WO-2022093850-A1 ISOXAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2022-05-05 WO disclosed