SCHEMBL14818581

SCHEMBL14818581

C=C1c2cc(-c3ccc(CC)cc3)ccc2CN1c1ccc2ccn(C)c2c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 3/20 0.33
▸ HTR7 P34969 1/20 0.32
▸ MCHR1 Q99705 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.31
▸ MAPKAPK2 P49137 1/20 0.31
▸ PRMT5 O14744 1/20 0.31
▸ WDR77 Q9BQA1 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MAP4K4 O95819 1/20 0.30
▸ CHEK2 O96017 1/20 0.30
▸ FYN P06241 1/20 0.30
▸ YES1 P07947 1/20 0.30
▸ FGR P09769 1/20 0.30
▸ KIT P10721 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
SCHEMBL13871896 0.91 HTR7 (0.37) HTR7KDM4ENPC1RAB9AL3MBTL1
SCHEMBL13871897 0.83 OXER1 (0.33) MCHR1DRD2HTR6L3MBTL1CYP2A6
SCHEMBL13872134 0.82 PRKCI (0.38) HTR7MCHR1KDM4ENPC1RAB9A
SCHEMBL13872211 0.81 CYP2A6 (0.35) HTR7KDM4ENPC1RAB9ACYP2A6
SCHEMBL13872271 0.81 PRKCI (0.43) DRD2MAPKAPK2L3MBTL1CYP2A6
SCHEMBL13871874 0.80 CYP2A6 (0.34) CYP2A6
SCHEMBL13872167 0.79 KDM2B (0.32) —
SCHEMBL13872127 0.78 HTR7 (0.43) HTR7
SCHEMBL13871967 0.78 HTR6 (0.43) MAPK1DRD2HTR6KDM4ENPC1
SCHEMBL13113714 0.78 HTR7 (0.37) HTR7MCHR1MAPK1KDM4ENPC1

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
EP-2573080-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) 2013-03-27 — — EP disclosed
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