SCHEMBL3763786

SCHEMBL3763786

Cn1cccc1C1CCCCN1C=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 3/20 0.45
WDR77 Q9BQA1 3/20 0.45
MAOB P27338 2/20 0.36
KMT2A Q03164 6/20 0.36
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
USP2 O75604 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 4/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNA7 P36544 2/20 0.33
CHRNA4 P43681 2/20 0.33
GAA P10253 2/20 0.33

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
SCHEMBL28725982 0.95 PRMT5 (0.41) PRMT5WDR77MAOBKMT2ATRIM24
SCHEMBL8846954 0.72 CHRNB2 (0.49) PRMT5WDR77KMT2ASMN1; SMN2MEN1
SCHEMBL4019471 0.72 CHRNB2 (0.49) PRMT5WDR77KMT2ASMN1; SMN2MEN1
SCHEMBL8846952 0.72 CHRNB2 (0.49) PRMT5WDR77KMT2ASMN1; SMN2MEN1
SCHEMBL8542500 0.71 CHRNB2 (0.47) PRMT5WDR77KMT2AMEN1CHRNB2
SCHEMBL8540149 0.71 CHRNB2 (0.47) PRMT5WDR77KMT2AMEN1CHRNB2
SCHEMBL8540152 0.71 CHRNB2 (0.47) PRMT5WDR77KMT2AMEN1CHRNB2
SCHEMBL19514190 0.70 NPC1 (0.42) PRMT5WDR77KMT2ATRIM24TRIM33
Hydrochloric Acid SCHEMBL9050213 0.70 CHRNB2 (0.46) KMT2AMEN1CHRNB2CHRNA7CHRNA4
SCHEMBL3757414 0.70 ALDH1A1 (0.41) KMT2ASMN1; SMN2POLBMEN1ALDH1A1

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-7842812-B2 Substituted 5-aminomethy1-1H-pyrrole-2-carboxylic acid amides GRUENENTHAL GMBH (DE) 2010-11-30 US disclosed