Sugi Predict

Sugi Predict / Compounds / SCHEMBL10560985

SCHEMBL10560985

SCHEMBL10560985

NCC1CCCN1CCC1CC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.35
▸ NCF1 P14598 1/20 0.34
▸ S1PR1 P21453 2/20 0.33
▸ S1PR3 Q99500 2/20 0.33
▸ S1PR5 Q9H228 2/20 0.33
▸ S1PR4 O95977 1/20 0.33
▸ ADRA1D P25100 3/20 0.30
▸ ADRA1A P35348 3/20 0.30
▸ ADRA1B P35368 3/20 0.30

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
SCHEMBL10569368 0.92 SIGMAR1 (0.38) HTTNCF1S1PR1S1PR3S1PR5
SCHEMBL14509625 0.81 ALOX15 (0.35) HTTNCF1S1PR1S1PR3S1PR5
SCHEMBL3544392 0.79 HTT (0.33) HTTNCF1
SCHEMBL3934463 0.79 HTT (0.33) HTTNCF1
SCHEMBL7026183 0.79 HTT (0.33) HTTNCF1
SCHEMBL23702487 0.78 SPHK2 (0.36) HTTS1PR1S1PR3S1PR5S1PR4
SCHEMBL1880946 0.78 SPHK2 (0.36) HTTS1PR1S1PR3S1PR5S1PR4
SCHEMBL9155196 0.78 S1PR1 (0.41) HTTNCF1S1PR1S1PR3S1PR5
SCHEMBL4375455 0.78 S1PR1 (0.41) HTTNCF1S1PR1S1PR3S1PR5
SCHEMBL14509645 0.78 ADRA1D (0.37) HTTNCF1S1PR1S1PR3S1PR5

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-4816471-A NERVOUS SYSTEM DISORDERS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILLE-DE FRANCE (FR) 1989-03-28 — — US disclosed