SCHEMBL7719730

SCHEMBL7719730

O=C(O)CC(CN1CCCCC1)C(=O)c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 4/20 0.42
HTT P42858 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MITF O75030 1/20 0.42
GFER P55789 1/20 0.42
PAX8 Q06710 1/20 0.42
ATM Q13315 1/20 0.42
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
KLF5 Q13887 1/20 0.41
LMNA P02545 3/20 0.41
NAPRT Q6XQN6 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
CYP2D6 P10635 2/20 0.40

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
SCHEMBL6862148 0.81 ALDH1A1 (0.58) ALDH1A1HTTRAB9ASMN1; SMN2MITF
SCHEMBL7718161 0.79 ALDH1A1 (0.60) ALDH1A1HTTRAB9ASMN1; SMN2MITF
SCHEMBL7719212 0.77 SLC6A4 (0.48) CYP3A4CYP2C9ALDH1A1HTTRAB9A
SCHEMBL6864372 0.76 ALDH1A1 (0.44) ALDH1A1HTTRAB9ASMN1; SMN2MITF
SCHEMBL7717232 0.74 LMNA (0.48) ALDH1A1HTTRAB9ASMN1; SMN2MITF
SCHEMBL7718645 0.74 ALDH1A1 (0.37) ALDH1A1HTTRAB9ASMN1; SMN2MITF
SCHEMBL7718155 0.73 ALDH1A1 (0.54) ALDH1A1HTTRAB9ASMN1; SMN2MITF
SCHEMBL7713723 0.73 SLC6A4 (0.43) ALDH1A1HTTRAB9ASMN1; SMN2MITF
SCHEMBL7713750 0.73 ALDH1A1 (0.44) CYP3A4CYP2C9ALDH1A1HTTRAB9A
SCHEMBL7718210 0.73 KMT2A (0.50) ALDH1A1HTTRAB9ASMN1; SMN2MITF

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