SCHEMBL29619007

SCHEMBL29619007

Cc1noc(C)c1-c1cc([N+](=O)[O-])ccc1OC1CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.43
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
PDE4B Q07343 8/20 0.38
AKR1C3 P42330 2/20 0.36
CACNB4 O00305 1/20 0.36
CACNA1A O00555 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNG3 O60359 1/20 0.36
CACNA1F O60840 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNB3 P54284 1/20 0.36
CACNA2D1 P54289 1/20 0.36
CACNG7 P62955 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNA1D Q01668 1/20 0.36
CACNB1 Q02641 1/20 0.36
CACNG1 Q06432 1/20 0.36
CACNB2 Q08289 1/20 0.36

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
SCHEMBL29619054 0.85 GPR119 (0.45) GPR119PDE4BCACNB4CACNA1ACACNA1G
SCHEMBL29619003 0.81 PTPN2 (0.45) GPR119MAPTLMNAPDE4BSMN1; SMN2
SCHEMBL1813964 0.81 ALDH1A1 (0.50) GPR119ALDH1A1MAPTLMNAPDE4B
SCHEMBL31663792 0.80 PIK3CD (0.45) ALDH1A1MAPTLMNAPDE4BPIK3CD
SCHEMBL4524382 0.78 PDE4B (0.53) ALDH1A1MAPTLMNAPDE4BCACNB4
SCHEMBL12002938 0.78 ALDH1A1 (0.49) ALDH1A1MAPTLMNAPDE4BCACNB4
SCHEMBL12002916 0.78 GPR119 (0.51) GPR119ALDH1A1MAPTLMNAPDE4B
SCHEMBL2575871 0.78 PDE4B (0.49) ALDH1A1MAPTLMNAPDE4BCACNB4
SCHEMBL30962804 0.75 ALDH1A1 (0.49) GPR119ALDH1A1MAPTLMNAPDE4B
SCHEMBL30912375 0.75 ALDH1A1 (0.49) GPR119ALDH1A1MAPTLMNAPDE4B

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