SCHEMBL31042663

SCHEMBL31042663

CCOC(=O)CCCCCN(c1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 6/20 0.48
▸ ADORA3 P0DMS8 4/20 0.45
▸ NR1I2 O75469 2/20 0.45
▸ TBXA2R P21731 2/20 0.45
▸ AGTR1 P30556 2/20 0.45
▸ PTGIR P43119 2/20 0.45
▸ PDE4D Q08499 2/20 0.45
▸ PTGDR Q13258 2/20 0.45
▸ DRD1 P21728 1/20 0.45
▸ PTGS2 P35354 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ ALOX5 P09917 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL31042665 0.87 PTGIR (0.49) ADORA3NR1I2TBXA2RAGTR1PTGIR
SCHEMBL31042664 0.81 MAPT (0.47) ADORA3NR1I2TBXA2RAGTR1PTGIR
SCHEMBL31042661 0.80 NR1I2 (0.55) FAAHADORA3NR1I2TBXA2RAGTR1
SCHEMBL31042659 0.80 NR1I2 (0.45) ADORA3NR1I2TBXA2RAGTR1PTGIR
SCHEMBL31498237 0.79 NR1I2 (0.55) FAAHADORA3NR1I2TBXA2RAGTR1
SCHEMBL18614740 0.78 ADORA3 (0.66) FAAHADORA3NR1I2TBXA2RAGTR1
SCHEMBL5216903 0.76 NR1I2 (0.56) ADORA3NR1I2TBXA2RAGTR1PTGIR
SCHEMBL31042660 0.75 NR1I2 (0.41) ADORA3NR1I2TBXA2RAGTR1PTGIR
SCHEMBL5218595 0.73 CKS1B (0.54) FAAHADORA3NR1I2TBXA2RAGTR1
SCHEMBL5213530 0.73 CKS1B (0.54) FAAHADORA3NR1I2TBXA2RAGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118598820-A Diphenyl triazine compound and preparation method and application thereof 石家庄四药有限公司 2024-09-06 — — CN disclosed
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