SCHEMBL8923331

SCHEMBL8923331

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.56
ALDH1A1 P00352 2/20 0.56
ALOX15 P16050 1/20 0.56
HSD17B10 Q99714 1/20 0.56
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
PRKDC P78527 5/20 0.41
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
PIK3CG P48736 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
AKR1C3 P42330 1/20 0.40
PHGDH O43175 1/20 0.40
KDM4E B2RXH2 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAP2 P11137 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL8921644 0.89 ALDH1A1 (0.57) HPGDALDH1A1ALOX15HSD17B10MAPT
SCHEMBL8921445 0.88 HPGD (0.62) HPGDALDH1A1ALOX15HSD17B10MAPT
SCHEMBL9132101 0.83 HPGD (0.57) HPGDALDH1A1ALOX15HSD17B10SMN1; SMN2
SCHEMBL9135743 0.81 ALDH1A1 (0.63) HPGDALDH1A1ALOX15HSD17B10MAPT
SCHEMBL9132104 0.81 ALDH1A1 (0.65) HPGDALDH1A1ALOX15HSD17B10MAPT
SCHEMBL8923375 0.79 ALDH1A1 (0.63) HPGDALDH1A1ALOX15HSD17B10SMN1; SMN2
SCHEMBL9858082 0.78 ALDH1A1 (0.48) HPGDALDH1A1ALOX15HSD17B10MAPT
SCHEMBL8922043 0.77 ALDH1A1 (0.67) HPGDALDH1A1ALOX15HSD17B10MAPT
SCHEMBL8920563 0.76 ALDH1A1 (0.70) HPGDALDH1A1ALOX15HSD17B10MAPT
SCHEMBL9133694 0.76 ALOX15 (0.43) HPGDALDH1A1ALOX15HSD17B10L3MBTL1

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 5 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
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