SCHEMBL30106352

SCHEMBL30106352

COc1ccccc1N1CCN(C(=O)c2nc(-c3ccc(C(F)(F)F)cc3)oc2-c2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.51
MAPT P10636 8/20 0.47
RXFP1 Q9HBX9 1/20 0.46
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX12 P18054 1/20 0.45
CYP2C19 P33261 1/20 0.45
ENPP2 Q13822 1/20 0.45
POLB P06746 4/20 0.44
LMNA P02545 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TACR1 P25103 1/20 0.44
SLC6A5 Q9Y345 1/20 0.43
THRB P10828 1/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.42

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
SCHEMBL27189104 0.86 EIF4E (0.44) MAPTENPP2POLBALDH1A1L3MBTL1
SCHEMBL27189100 0.85 EIF4E (0.46) MAPTENPP2POLBLMNAMEN1
SCHEMBL30106375 0.84 EIF4E (0.45) MAPTCYP2D6CYP2C9CYP2C19ENPP2
SCHEMBL27189045 0.84 HRH2 (0.47) MAPTENPP2POLBLMNAMEN1
SCHEMBL27189043 0.84 EIF4E (0.42) ENPP2POLBRAB9AL3MBTL1
SCHEMBL27189072 0.84 EIF4E (0.45) POLBLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL27189052 0.83 EIF4E (0.43) ENPP2POLBMEN1KMT2AL3MBTL1
SCHEMBL27189105 0.83 EIF4E (0.44) MAPTENPP2POLBMEN1KMT2A
SCHEMBL27189050 0.82 TRPV1 (0.50) MAPTENPP2POLBLMNAMEN1
SCHEMBL27189042 0.82 EIF4E (0.42) CYP2D6CYP2C9CYP2C19ENPP2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117396465-A Novel oxazole derivative for preventing or treating allergic diseases and pharmaceutical composition containing the same 阿斯克里斯有限公司 2024-01-12 CN claimed
CN-117396465-A Novel oxazole derivative for preventing or treating allergic diseases and pharmaceutical composition containing the same 阿斯克里斯有限公司 2024-01-12 CN disclosed
WO-2022255764-A1 NOVEL OXAZOLE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME FOR PREVENTION OR TREATMENT OF ALLERGIC DISEASE 주식회사 에즈큐리스 2022-12-08 WO disclosed