SCHEMBL8920563

SCHEMBL8920563

O=C(O)c1[nH]cc(-c2ccccc2)c1N1CCOCC1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.70
HSD17B10 Q99714 2/20 0.70
HPGD P15428 2/20 0.70
ALOX15 P16050 2/20 0.70
LRRK2 Q5S007 3/20 0.49
STK4 Q13043 2/20 0.49
STK3 Q13188 2/20 0.49
LMNA P02545 2/20 0.44
PIN1 Q13526 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 2/20 0.43
ROCK1 Q13464 1/20 0.42
PRKDC P78527 3/20 0.42
KMO O15229 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SCN9A Q15858 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 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
SCHEMBL8922043 0.97 ALDH1A1 (0.67) ALDH1A1HSD17B10HPGDALOX15LRRK2
SCHEMBL8923242 0.88 ALDH1A1 (0.57) ALDH1A1HSD17B10HPGDALOX15LRRK2
SCHEMBL8921644 0.88 ALDH1A1 (0.57) ALDH1A1HSD17B10HPGDALOX15KDM4E
SCHEMBL8923375 0.88 ALDH1A1 (0.63) ALDH1A1HSD17B10HPGDALOX15LRRK2
SCHEMBL8922167 0.88 HSD17B10 (0.57) ALDH1A1HSD17B10HPGDALOX15LRRK2
SCHEMBL8921531 0.87 ALDH1A1 (0.54) ALDH1A1HSD17B10HPGDALOX15LRRK2
SCHEMBL27395864 0.87 ALDH1A1 (0.79) ALDH1A1HSD17B10HPGDALOX15LRRK2
SCHEMBL8923429 0.86 HSD17B10 (0.55) ALDH1A1HSD17B10HPGDALOX15LRRK2
SCHEMBL8921416 0.85 ALDH1A1 (0.59) ALDH1A1HSD17B10HPGDALOX15KDM4E
SCHEMBL8921302 0.84 ALDH1A1 (0.58) ALDH1A1HSD17B10HPGDALOX15LRRK2

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
US-5502051-A CENTRAL NERVOUS SYSTEM, ANTISPASMODIC ARZNEIMITTELWERK DRESDEN GMBH (DE) 1996-03-26 US claimed
US-5414082-A Anticonvulsants ARZNEIMITTELWERK DRESDEN GMBH (DE) 1995-05-09 US claimed
EP-0431371-A1 3-Aminopyrroles, process for this preparation and their use as medicaments ARZNEIMITTELWERK DRESDEN GmbH (DE) 1991-06-12 EP claimed
US-5684160-A 3-aminopyrroles, methods for their synthesis and for their pharmaceutical use ARZNEIMETTELWERK DRESDEN GMBH (DE) 1997-11-04 US disclosed
US-5502051-A CENTRAL NERVOUS SYSTEM, ANTISPASMODIC ARZNEIMITTELWERK DRESDEN GMBH (DE) 1996-03-26 US disclosed
US-5414082-A Anticonvulsants ARZNEIMITTELWERK DRESDEN GMBH (DE) 1995-05-09 US disclosed