SCHEMBL9625690

SCHEMBL9625690

CN(CCCCN1Cc2ccccc2C1=O)CCc1cccs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
DRD2 P14416 3/20 0.46
DRD5 P21918 3/20 0.46
DRD3 P35462 3/20 0.46
HTR1A P08908 1/20 0.46
HTR7 P34969 2/20 0.45
KDM4E B2RXH2 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
MAOB P27338 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL9624768 0.97 SMN1; SMN2 (0.49) SMN1; SMN2DRD2DRD5DRD3HTR1A
SCHEMBL9624884 0.92 SMN1; SMN2 (0.51) SMN1; SMN2DRD2DRD5DRD3HTR1A
SCHEMBL9625527 0.83 L3MBTL1 (0.38) SMN1; SMN2MAOBHDAC6
SCHEMBL9624619 0.80 SMN1; SMN2 (0.37) SMN1; SMN2
SCHEMBL9624246 0.80 HCN4 (0.46) DRD2DRD5DRD3HTR1AHTR7
SCHEMBL9624441 0.80 L3MBTL1 (0.37) SMN1; SMN2HDAC6
Hydrochloric Acid SCHEMBL9624740 0.79 ALOX15 (0.47) DRD2DRD5DRD3HTR1AHTR7
SCHEMBL9625089 0.79 HDAC6 (0.37) SMN1; SMN2KDM4EMAOBHDAC6ACHE
SCHEMBL9624134 0.78 L3MBTL1 (0.38) SMN1; SMN2DRD3HTR1AMAOBHDAC6
SCHEMBL9623994 0.78 KDM4E (0.43) SMN1; SMN2DRD2DRD5DRD3HTR1A

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