SCHEMBL11149059

SCHEMBL11149059

CC(=O)NCC1=CN=Cc2ccccc2N1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.40
MTNR1A P48039 8/20 0.37
MTNR1B P49286 7/20 0.37
ELANE P08246 1/20 0.36
SETDB1 Q15047 1/20 0.35
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
HTT P42858 1/20 0.32
PTPN1 P18031 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
SCHEMBL27345420 0.78 ALDH1A1 (0.41) SMN1; SMN2KDM4ENPC1MAPTRAB9A
SCHEMBL11389449 0.76 GAA (0.38) MAPT
Hydrochloric Acid SCHEMBL8805169 0.74 GAA (0.36) MAPT
SCHEMBL29133228 0.73 KDM4E (0.38) SMN1; SMN2KDM4ENPC1MAPTRAB9A
SCHEMBL28831505 0.73 GAA (0.39) MAPT
SCHEMBL9540291 0.73 HRH4 (0.38) SMN1; SMN2KDM4EKMT2A
SCHEMBL9789197 0.72 GAA (0.38) NPC1MAPT
SCHEMBL9527218 0.72 GAA (0.38) MAPT
SCHEMBL11143948 0.71
SCHEMBL8638648 0.71 MAPT (0.37) KDM4EMAPT

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
US-4382030-A ANALGESICS; DIURETICS; ANTIARRHYTHMIC AND BRONCHODILATOR AGENTS; SEDATIVES; PSYCHOLOGICAL DISORDERS KALI-CHEMIE PHARMA GMBH (DE) 1983-05-03 US disclosed