SCHEMBL6864372

SCHEMBL6864372

O=C(O)CC(CN1CCCCC1)C(=O)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
RAB9A P51151 3/20 0.44
HTT P42858 3/20 0.44
ATM Q13315 2/20 0.44
GFER P55789 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MITF O75030 1/20 0.44
PAX8 Q06710 1/20 0.44
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
HIF1A Q16665 1/20 0.42
APP P05067 1/20 0.42
GAA P10253 1/20 0.42
HCAR3 P49019 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
SLC6A4 P31645 1/20 0.41
PLOD2 O00469 1/20 0.40
CHRNB2 P17787 1/20 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
SCHEMBL11091029 0.91 ALDH1A1 (0.46) ALDH1A1RAB9AHTTATMGFER
Hydrochloric Acid SCHEMBL11089576 0.90 ALDH1A1 (0.48) ALDH1A1RAB9AHTTATMGFER
SCHEMBL7503188 0.86 ALDH1A1 (0.44) ALDH1A1RAB9AGFERSMN1; SMN2MAPT
SCHEMBL6862148 0.85 ALDH1A1 (0.58) ALDH1A1RAB9AHTTATMGFER
SCHEMBL7719212 0.84 SLC6A4 (0.48) ALDH1A1RAB9AHTTATMGFER
SCHEMBL7718161 0.84 ALDH1A1 (0.60) ALDH1A1RAB9AHTTATMGFER
SCHEMBL6862360 0.76 SLC6A4 (0.69) ALDH1A1RAB9AHTTATMGFER
Hydrochloric Acid SCHEMBL11090089 0.76 RECQL (0.43) ALDH1A1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL7719730 0.76 GSK3B (0.43) ALDH1A1RAB9AHTTATMGFER
SCHEMBL11094224 0.76 GAA (0.50) ALDH1A1RAB9AHTTATMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0999204-B1 NOVEL COMPOUND HAVING EFFECT OF PROMOTING NEURON DIFFERENTIATION NIPPON KAYAKU KK (JP) 2004-10-13 EP disclosed
EP-1240144-A2 COMPOUND HAVING EFFECT OF PROMOTING NEURON DIFFERENTIATION NIPPON KAYAKU CO., LTD. (JP) 2002-09-18 EP disclosed
US-6399606-B1 3-(((2R)-2-(((2-FLUOROPHENYL)AMINO)CARBONYLAMINO)-2-(METHOXY CARBONYL)ETHYLTHIO)METHYL)-4-OXO-4-(3-PYRIDYL)BUTANOIC ACID; TREATMENT OF CHEMOTHERAPY INDUCED NEUROPATHY NIPPON KAYAKU CO., LTD. (JP) 2002-06-04 US disclosed
US-6384063-B1 Compound having effect of promoting neuron differentiation NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2002-05-07 US disclosed
WO-2001040187-A2 COMPOUND HAVING EFFECT OF PROMOTING NEURON DIFFERENTIATION NIPPON KAYAKU CO., LTD. (JP) 2001-06-07 WO disclosed
EP-0999204-A1 NOVEL COMPOUND HAVING EFFECT OF PROMOTING NEURON DIFFERENTIATION Nippon Kayaku Kabushiki Kaisha (JP) 2000-05-10 EP disclosed