SCHEMBL9624677

SCHEMBL9624677

CN(CCCCc1ccsc1)CCCN1Cc2cc3c(cc2C1=O)OCO3

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.35
RAB9A P51151 1/20 0.34
CTSL P07711 1/20 0.32
MAPT P10636 1/20 0.32
HCN4 Q9Y3Q4 1/20 0.32

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
SCHEMBL9624509 0.99 NAAA (0.37) NAAARAB9A
SCHEMBL9624809 0.97 RAB9A (0.34) NAAARAB9ACTSLMAPTHCN4
SCHEMBL9625096 0.95 MAPT (0.36) RAB9ACTSLMAPTHCN4
SCHEMBL9624963 0.86 HDAC6 (0.34) NAAAMAPTHCN4
SCHEMBL9625068 0.85 HDAC6 (0.35) NAAAMAPTHCN4
SCHEMBL9624538 0.83 BCHE (0.37) RAB9ACTSL
SCHEMBL9624931 0.83 HCN4 (0.46) MAPTHCN4
SCHEMBL9623769 0.83 SMN1; SMN2 (0.39) RAB9A
SCHEMBL9623887 0.83 HDAC6 (0.34) NAAAMAPTHCN4
SCHEMBL9624761 0.83 HCN4 (0.45) NAAAMAPTHCN4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5116986-A HETEROAROMATIC AMINE DERIVATIVES DR. KARL THOMAE GMBH (DE) 1992-05-26 US disclosed
US-4912115-A Cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1990-03-27 US disclosed