SCHEMBL7713747

SCHEMBL7713747

CC(=O)N[C@@H](CS)C(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
POLB P06746 3/20 0.51
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
PKM P14618 1/20 0.51
MAPK1 P28482 1/20 0.50
GFER P55789 1/20 0.50
HTT P42858 1/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
CCR1 P32246 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL31641754 0.82 MAPK1 (0.54) GAAPOLBALDH1A1SMN1; SMN2MAPK1
SCHEMBL7720927 0.81 MAPK1 (0.52) GAAPOLBALDH1A1SMN1; SMN2MAPK1
SCHEMBL23244242 0.80 ALDH1A1 (0.62) POLBALDH1A1SMN1; SMN2PKMMAPK1
SCHEMBL23244240 0.80 ALDH1A1 (0.62) POLBALDH1A1SMN1; SMN2PKMMAPK1
SCHEMBL13645833 0.80 CCR1 (0.66) GAAPOLBALDH1A1SMN1; SMN2MAPK1
SCHEMBL31639171 0.78 P2RY12 (0.52) POLBALDH1A1SMN1; SMN2PKMMAPK1
SCHEMBL31642259 0.78 P2RY12 (0.52) POLBALDH1A1SMN1; SMN2PKMMAPK1
SCHEMBL12422064 0.77 MAPT (0.53) GAAALDH1A1SMN1; SMN2PKMMAPT
SCHEMBL13409018 0.76 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL7719163 0.76 SMN1; SMN2 (0.55) ALDH1A1SMN1; SMN2MAPT

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-6384063-B1 Compound having effect of promoting neuron differentiation NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2002-05-07 US disclosed
EP-0999204-A1 NOVEL COMPOUND HAVING EFFECT OF PROMOTING NEURON DIFFERENTIATION Nippon Kayaku Kabushiki Kaisha (JP) 2000-05-10 EP disclosed