Sugi Predict

Sugi Predict / Compounds / SCHEMBL8635407

SCHEMBL8635407

SCHEMBL8635407

Nc1cc(Oc2ccc(F)cc2)ccc1OC1CCc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 4/20 0.43
▸ SLC6A4 P31645 5/20 0.40
▸ HTR1A P08908 2/20 0.40
▸ SLC6A2 P23975 2/20 0.40
▸ SLC6A3 Q01959 2/20 0.40
▸ PIN1 Q13526 3/20 0.38
▸ FFAR1 O14842 4/20 0.35
▸ HSD11B1 P28845 1/20 0.35
▸ PRCP P42785 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
SCHEMBL12320928 0.79 IDO1 (0.54) IDO1SLC6A4HTR1ASLC6A2SLC6A3
SCHEMBL12320494 0.75 SLC6A4 (0.51) IDO1SLC6A4SLC6A2SLC6A3PIN1
SCHEMBL12320173 0.75 SLC6A4 (0.51) IDO1SLC6A4PIN1
Hydrochloric Acid SCHEMBL8637973 0.69 FFAR1 (0.49) IDO1PIN1FFAR1
SCHEMBL15679184 0.69 FFAR1 (0.42) IDO1FFAR1HSD11B1
SCHEMBL12320178 0.68 IDO1 (0.51) IDO1SLC6A4PIN1FFAR1PRCP
SCHEMBL17090854 0.68 IDO1 (0.54) IDO1SLC6A4SLC6A2SLC6A3PIN1
SCHEMBL11234063 0.68 IDO1 (0.54) IDO1SLC6A4SLC6A2SLC6A3PIN1
SCHEMBL24751492 0.67 ALDH1A1 (0.61) —
SCHEMBL12320212 0.67 IDO1 (0.43) IDO1SLC6A4PIN1

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-5773463-A DECALCIFICATION OF BRAIN DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 1998-06-30 — — US disclosed