SCHEMBL8921644

SCHEMBL8921644

O=C(O)c1[nH]cc(-c2ccc(Cl)cc2)c1N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
HPGD P15428 1/20 0.57
ALOX15 P16050 1/20 0.57
HSD17B10 Q99714 1/20 0.57
PIK3CA P42336 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
PRKAB2 O43741 2/20 0.42
PRKAG1 P54619 2/20 0.42
PRKAA2 P54646 2/20 0.42
PRKAA1 Q13131 2/20 0.42
PRKAG3 Q9UGI9 2/20 0.42
PRKAG2 Q9UGJ0 2/20 0.42
PRKAB1 Q9Y478 2/20 0.42
PRKDC P78527 5/20 0.41
PIK3CG P48736 2/20 0.41
MTOR P42345 1/20 0.41
AKR1C3 P42330 1/20 0.41
PHGDH O43175 1/20 0.40
KDM4E B2RXH2 3/20 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
SCHEMBL8923331 0.89 HPGD (0.56) ALDH1A1HPGDALOX15HSD17B10PIK3CA
SCHEMBL8922043 0.88 ALDH1A1 (0.67) ALDH1A1HPGDALOX15HSD17B10SMN1; SMN2
SCHEMBL8920563 0.88 ALDH1A1 (0.70) ALDH1A1HPGDALOX15HSD17B10SMN1; SMN2
SCHEMBL8923242 0.87 ALDH1A1 (0.57) ALDH1A1HPGDALOX15HSD17B10PIK3CA
SCHEMBL8923375 0.87 ALDH1A1 (0.63) ALDH1A1HPGDALOX15HSD17B10PIK3CA
SCHEMBL8922167 0.87 HSD17B10 (0.57) ALDH1A1HPGDALOX15HSD17B10SMN1; SMN2
SCHEMBL9132101 0.87 HPGD (0.57) ALDH1A1HPGDALOX15HSD17B10PIK3CA
SCHEMBL8919988 0.87 HPGD (0.42) ALDH1A1HPGDALOX15HSD17B10SMN1; SMN2
SCHEMBL8921445 0.86 HPGD (0.62) ALDH1A1HPGDALOX15HSD17B10PIK3CA
SCHEMBL9133737 0.85 ALDH1A1 (0.41) ALDH1A1HPGDALOX15HSD17B10SMN1; 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
US-5684160-A 3-aminopyrroles, methods for their synthesis and for their pharmaceutical use ARZNEIMETTELWERK DRESDEN GMBH (DE) 1997-11-04 US claimed
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
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