SCHEMBL9710096

SCHEMBL9710096

CCN(CC)CC.N#CCc1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LIN28A Q9H9Z2 1/20 0.46
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HRH3 Q9Y5N1 1/20 0.40
HRH1 P35367 1/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
PKM P14618 1/20 0.37
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36

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
SCHEMBL365933 0.87
Water SCHEMBL9578432 0.87 MAPT (0.50) MAPTTDP1SMN1; SMN2LIN28AMEN1
Hydrochloric Acid SCHEMBL28196424 0.85 MAPT (0.48) MAPTTDP1SMN1; SMN2LIN28AMEN1
Piconol SCHEMBL537502 0.79 TDP1 (0.48) MAPTTDP1SMN1; SMN2LIN28AHRH3
1-Methylimidazole SCHEMBL4869490 0.78 HSD17B10 (0.46) MAPTMEN1KMT2AHRH3HRH1
SCHEMBL29877048 0.76 TDP1 (0.70) MAPTTDP1SMN1; SMN2LIN28AKMT2A
SCHEMBL804309 0.76 TDP1 (0.70) MAPTTDP1SMN1; SMN2LIN28AKMT2A
SCHEMBL8604224 0.76 TDP1 (0.70) MAPTTDP1SMN1; SMN2LIN28AKMT2A
SCHEMBL5482125 0.74 SMN1; SMN2 (0.48) MAPTTDP1SMN1; SMN2LIN28AMEN1
SCHEMBL12338697 0.73 TDP1 (0.78) MAPTTDP1SMN1; SMN2LIN28AKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0188400-B1 OLIGOPEPTIDES, INTERMEDIATES AND PROCESS FOR THEIR PREPARATION CIBA-GEIGY AG (CH) 1992-07-08 EP disclosed
EP-0146785-B1 PROCESS FOR THE PREPARATION OF PROTEASE INHIBITORS CIBA-GEIGY AG (CH) 1990-02-07 EP disclosed
EP-0188400-A2 Oligopeptides, intermediates and process for their preparation CIBA-GEIGY AG (CH) 1986-07-23 EP disclosed
EP-0146785-A1 Process for the preparation of protease inhibitors CIBA-GEIGY AG (CH) 1985-07-03 EP disclosed