SCHEMBL9688096

SCHEMBL9688096

COC(c1cc[c]cc1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.46
SLC6A4 P31645 4/20 0.40
SLC6A2 P23975 3/20 0.34
SLC6A3 Q01959 5/20 0.33
FPR2 P25090 3/20 0.33
PROKR1 Q8TCW9 3/20 0.33
EPHX1 P07099 1/20 0.31
DHODH Q02127 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 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
SCHEMBL9685934 0.98 IDO1 (0.43) IDO1SLC6A4SLC6A2SLC6A3FPR2
SCHEMBL9688143 0.95 SLC6A4 (0.41) IDO1SLC6A4SLC6A2SLC6A3FPR2
SCHEMBL6347241 0.91 SLC6A4 (0.43) IDO1SLC6A4SLC6A2SLC6A3FPR2
SCHEMBL12066334 0.81 IDO1 (0.68) IDO1SLC6A4SLC6A2SLC6A3FPR2
SCHEMBL28783367 0.77 IDO1 (0.53) IDO1SLC6A4SLC6A2SLC6A3
SCHEMBL27778751 0.77 IDO1 (0.53) IDO1SLC6A4SLC6A2SLC6A3
SCHEMBL317788 0.72 DHODH (0.50) IDO1DHODH
SCHEMBL7297078 0.71 SLC6A4 (0.31) SLC6A4SLC6A2SLC6A3SMN1; SMN2
SCHEMBL19144912 0.71 IDO1 (0.64) IDO1SLC6A4SLC6A2SLC6A3FPR2
SCHEMBL18707289 0.70 IDO1 (0.45) IDO1SLC6A4SLC6A2ALDH1A1

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-5135932-A 2-HYDROXYPROPYLAMINO-ALKYL-BENZIMIDAZOLY-5-YL DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEART DISEASE DR. KARL THOMAE GMBH (DE) 1992-08-04 US disclosed