SCHEMBL9685934

SCHEMBL9685934

COC(c1cc[c]cc1)C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.43
SLC6A4 P31645 5/20 0.41
SLC6A2 P23975 4/20 0.35
FPR2 P25090 3/20 0.33
PROKR1 Q8TCW9 3/20 0.33
SLC6A3 Q01959 5/20 0.32
EPHX1 P07099 1/20 0.32
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL9688096 0.98 IDO1 (0.46) IDO1SLC6A4SLC6A2FPR2PROKR1
SCHEMBL9688143 0.96 SLC6A4 (0.41) IDO1SLC6A4SLC6A2FPR2PROKR1
SCHEMBL6347241 0.92 SLC6A4 (0.43) IDO1SLC6A4SLC6A2FPR2PROKR1
SCHEMBL12066334 0.79 IDO1 (0.68) IDO1SLC6A4SLC6A2FPR2PROKR1
SCHEMBL27778751 0.75 IDO1 (0.53) IDO1SLC6A4SLC6A2SLC6A3
SCHEMBL28783367 0.75 IDO1 (0.53) IDO1SLC6A4SLC6A2SLC6A3
SCHEMBL19144912 0.72 IDO1 (0.64) IDO1SLC6A4SLC6A2FPR2PROKR1
SCHEMBL16979030 0.71 SLC6A4 (0.49) IDO1SLC6A4SLC6A2FPR2PROKR1
SCHEMBL8336164 0.71 DHODH (0.47) SLC6A3
SCHEMBL28750188 0.71 IDO1 (0.35) IDO1SLC6A3

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