SCHEMBL13872167

SCHEMBL13872167

C=C1c2cc(CC3CCCC3)ccc2CN1c1ccc2ccn(C)c2c1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KDM2B Q8NHM5 1/20 0.32
▸ IDO1 P14902 1/20 0.31
▸ TDO2 P48775 1/20 0.31
▸ BACE1 P56817 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
SCHEMBL13871909 0.92 SLC6A2 (0.36) BACE1
SCHEMBL13871896 0.85 HTR7 (0.37) IDO1TDO2
SCHEMBL13871897 0.81 OXER1 (0.33) —
SCHEMBL13871983 0.81 MEN1 (0.40) —
SCHEMBL14818581 0.79 PTK2 (0.33) —
SCHEMBL13872271 0.79 PRKCI (0.43) IDO1TDO2
SCHEMBL13872211 0.79 CYP2A6 (0.35) IDO1TDO2
SCHEMBL13871946 0.78 IDO1 (0.38) IDO1TDO2
SCHEMBL13871874 0.78 CYP2A6 (0.34) IDO1TDO2
SCHEMBL13871957 0.78 HTR6 (0.39) IDO1TDO2

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
WO-2009042907-A1 ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-04-02 — — WO disclosed
Send feedback