SCHEMBL28020537

SCHEMBL28020537

O=CNc1c[nH]cc1N1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
KDM4C Q9H3R0 1/20 0.38
ALDH1A3 P47895 2/20 0.37
CSF1R P07333 4/20 0.35
NPSR1 Q6W5P4 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.34
BRPF1 P55201 1/20 0.34
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MMP1 P03956 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 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
SCHEMBL10288508 0.72 ALDH1A1 (0.53) MAPTALDH1A3NPSR1L3MBTL1GAA
SCHEMBL23847671 0.67 ALDH1A1 (0.55) MAPTCSF1RL3MBTL1GAAALDH1A1
SCHEMBL17805391 0.67 NPSR1 (0.44) MAPTCSF1RNPSR1L3MBTL1GAA
SCHEMBL24383692 0.67 ALDH1A1 (0.49) MAPTALDH1A3CSF1RNPSR1L3MBTL1
SCHEMBL28020109 0.64 NPC1 (0.59) MAPTKDM4CL3MBTL1GAAALDH1A1
SCHEMBL22523017 0.62 ALDH1A1 (0.46) MAPTALDH1A3NPSR1GAAALDH1A1
SCHEMBL19152187 0.62 ALDH1A3 (0.49) MAPTALDH1A3NPSR1L3MBTL1GAA
SCHEMBL2320267 0.62 ALDH1A1 (0.58) MAPTNPSR1L3MBTL1GAAALDH1A1
SCHEMBL5543471 0.61 MAPK1 (0.51) MAPTCSF1RNPSR1GAAALDH1A1
SCHEMBL4468998 0.61 ADRB1 (0.51) MAPTALDH1A1KDM4E

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
CN-104829592-A Synthesis method of 4-piperidyl-1H-pyrrole-3-formamide compound hydrochloride 1ST AFFILIATED HOSPITAL HENAN UNIV SCIENCE & TECHNOLOGY 2015-08-12 CN disclosed
CN-104829592-A Synthesis method of 4-piperidyl-1H-pyrrole-3-formamide compound hydrochloride 1ST AFFILIATED HOSPITAL HENAN UNIV SCIENCE & TECHNOLOGY 2015-08-12 CN disclosed