SCHEMBL27647904

SCHEMBL27647904

c1ccc(-c2ccccc2Cc2ccc[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.47
▸ KMT2A Q03164 1/20 0.41
▸ PDCD1 Q15116 1/20 0.38
▸ CD274 Q9NZQ7 1/20 0.38
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ FOLH1 Q04609 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ KCNA5 P22460 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ MAOA P21397 1/20 0.34

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
SCHEMBL30667304 0.93 DPP4 (0.40) DPP4KMT2APDCD1CD274DRD2
SCHEMBL2841431 0.77 DPP4 (0.65) DPP4KMT2APDCD1CD274HTR7
SCHEMBL31387875 0.77 DPP4 (0.65) DPP4KMT2APDCD1CD274HTR7
Benzene SCHEMBL28241649 0.75 MAOA (0.45) DRD2DRD4DRD3MAOA
SCHEMBL28029169 0.75 NOTUM (0.39) DRD2DRD4DRD3MAOA
Biphenyl SCHEMBL27518037 0.75 HRH3 (0.46) DRD2DRD4DRD3
SCHEMBL2626853 0.74 HRH3 (0.59) CYP11B1CYP11B2
SCHEMBL20117714 0.73 DAO (0.49) —
SCHEMBL20117949 0.73 TAAR1 (0.41) MAOA
SCHEMBL27647887 0.73 TAAR1 (0.43) DRD2DRD4DRD3

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-1906155-A Novel hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA AS (DK) 2007-01-31 — — CN claimed
CN-1906155-A Novel hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA AS (DK) 2007-01-31 — — CN disclosed
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