SCHEMBL31042665

SCHEMBL31042665

CC(C)N(CCCCCC(=O)O)c1nnc(-c2ccccc2)c(-c2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 5/20 0.49
▸ NR1I2 O75469 2/20 0.49
▸ ADORA3 P0DMS8 2/20 0.49
▸ TBXA2R P21731 2/20 0.49
▸ AGTR1 P30556 2/20 0.49
▸ PDE4D Q08499 2/20 0.49
▸ PTGDR Q13258 2/20 0.49
▸ DRD1 P21728 1/20 0.49
▸ CKS1B P61024 2/20 0.42
▸ SKP1 P63208 2/20 0.42
▸ SKP2 Q13309 2/20 0.42
▸ ABCB11 O95342 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ SCN5A Q14524 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
SCHEMBL31042663 0.87 FAAH (0.48) PTGIRNR1I2ADORA3TBXA2RAGTR1
SCHEMBL31042661 0.86 NR1I2 (0.55) PTGIRNR1I2ADORA3TBXA2RAGTR1
SCHEMBL31042659 0.85 NR1I2 (0.45) PTGIRNR1I2ADORA3TBXA2RAGTR1
SCHEMBL31498237 0.85 NR1I2 (0.55) PTGIRNR1I2ADORA3TBXA2RAGTR1
SCHEMBL31042660 0.81 NR1I2 (0.41) PTGIRNR1I2ADORA3TBXA2RAGTR1
SCHEMBL5216903 0.77 NR1I2 (0.56) PTGIRNR1I2ADORA3TBXA2RAGTR1
SCHEMBL5214668 0.76 TBXA2R (0.59) PTGIRNR1I2ADORA3TBXA2RAGTR1
SCHEMBL31042664 0.76 MAPT (0.47) PTGIRNR1I2ADORA3TBXA2RAGTR1
SCHEMBL18614888 0.75 PTGIR (0.74) PTGIRNR1I2ADORA3TBXA2RAGTR1
SCHEMBL27532867 0.69 NR1I2 (0.68) PTGIRNR1I2ADORA3TBXA2RAGTR1

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
CN-119775219-A Diphenyl triazine compound intermediate, and synthetic method and application thereof 河北国龙制药有限公司 2025-04-08 — — CN disclosed
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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