SCHEMBL9624809

SCHEMBL9624809

CN(CCCc1ccsc1)CCCN1Cc2cc3c(cc2C1=O)OCO3

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.34
NAAA Q02083 1/20 0.34
CTSL P07711 1/20 0.32
MAPT P10636 1/20 0.32
HCN4 Q9Y3Q4 1/20 0.32
CYP2D6 P10635 1/20 0.32
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 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
SCHEMBL9624677 0.97 NAAA (0.35) RAB9ANAAACTSLMAPTHCN4
SCHEMBL9624509 0.96 NAAA (0.37) RAB9ANAAA
SCHEMBL9625096 0.96 MAPT (0.36) RAB9ACTSLMAPTHCN4
SCHEMBL9623887 0.86 HDAC6 (0.34) NAAAMAPTHCN4
SCHEMBL9624538 0.84 BCHE (0.37) RAB9ACTSLSCN1ASCN2ASCN3A
SCHEMBL9624482 0.84 TDP1 (0.34) MAPTHCN4CYP2D6
SCHEMBL9624353 0.83 SMN1; SMN2 (0.39) RAB9A
SCHEMBL9624720 0.83 HCN4 (0.46) MAPTHCN4
SCHEMBL9623778 0.83 EDNRB (0.36) NAAAMAPTHCN4CYP2D6SCN1A
SCHEMBL9624963 0.83 HDAC6 (0.34) 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