Sugi Predict

Sugi Predict / Compounds / SCHEMBL7973784

SCHEMBL7973784

SCHEMBL7973784

CCCC(CCC)C(N)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.54
▸ AOC3 Q16853 2/20 0.47
▸ F2 P00734 1/20 0.42
▸ HRH1 P35367 1/20 0.41
▸ TAAR1 Q96RJ0 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTR2A P28223 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ ADRA2C P18825 1/20 0.39

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
SCHEMBL27692950 0.91 DPP4 (0.45) DPP4AOC3HRH1HTR2A
SCHEMBL27692856 0.89 CSNK1E (0.46) DPP4AOC3HTR2A
SCHEMBL28709961 0.84 CSNK1E (0.49) DPP4HTR2A
SCHEMBL1090571 0.84 CSNK1E (0.49) DPP4HTR2A
SCHEMBL1091524 0.84 CSNK1E (0.49) DPP4HTR2A
Hydrochloric Acid SCHEMBL4665738 0.83 CSNK1E (0.47) DPP4HTR2A
Hydrochloric Acid SCHEMBL1485805 0.83 CSNK1E (0.47) DPP4HTR2A
Hydrochloric Acid SCHEMBL4664397 0.83 CSNK1E (0.47) DPP4HTR2A
Hydrochloric Acid SCHEMBL11264234 0.83 CSNK1E (0.47) DPP4HTR2A
SCHEMBL28416425 0.83 DPP4 (0.54) DPP4AOC3F2HRH1TAAR1

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
US-6214859-B1 PSYCHOLOGICAL DISORDERS; ALZHEIMER'S DISORDERS; PARKINSON'SDISORDERS FUJIMOTO BROTHERS CO., LTD. (JP) 2001-04-10 — — US disclosed