SCHEMBL8558281

SCHEMBL8558281

CC(=O)c1cc2cccc3c2n1CCC3

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.76
HPGD P15428 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 2/20 0.46
USP2 O75604 1/20 0.46
SLC9A1 P19634 1/20 0.44
KDM4E B2RXH2 5/20 0.43
NOTUM Q6P988 1/20 0.41
LMNA P02545 3/20 0.40
GAA P10253 2/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
AHR P35869 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
CYP1A2 P05177 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL3064664 0.87 MCL1 (1.00) MCL1HPGDALDH1A1HSD17B10USP2
SCHEMBL7958074 0.81 MCL1 (0.66) MCL1HPGDALDH1A1HSD17B10USP2
SCHEMBL7956111 0.78 MCL1 (0.58) MCL1HPGDALDH1A1HSD17B10USP2
SCHEMBL9811408 0.78 MCL1 (0.60) MCL1HPGDALDH1A1HSD17B10USP2
SCHEMBL2347010 0.77 MCL1 (0.83) MCL1ALDH1A1SLC9A1KDM4ELMNA
SCHEMBL7956114 0.75 MCL1 (0.57) MCL1HPGDALDH1A1HSD17B10USP2
SCHEMBL17520237 0.75 HSD17B10 (0.57) MCL1HPGDALDH1A1HSD17B10USP2
SCHEMBL12168237 0.74 MCL1 (0.68) MCL1HPGDALDH1A1HSD17B10USP2
Hydrochloric Acid SCHEMBL9559889 0.73 MCL1 (0.55) MCL1HSD17B10LMNAGAAKMT2A
SCHEMBL26054579 0.73 MCL1 (0.55) MCL1HPGDALDH1A1HSD17B10USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0529452-B1 1,7-Condensed 3-(piperazinoalkyl)indol derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them SOLVAY PHARM GMBH (DE) 1998-11-11 EP disclosed
US-5324725-A Antiinflammatory agent, antiallergen KALI-CHEMIE PHARMA GMBH (DE) 1994-06-28 US disclosed
CN-1069732-A 1, the 2-that 7-a pair of horses going side by side is closed (piperazine alkyl) indole derivatives and preparation method and intermediate product and the medicament that contains these compounds KALI CHEMIE PHARMA GMBH (DE) 1993-03-10 CN disclosed
EP-0529452-A2 1,7-Condensed 2-(piperazinoalkyl)indol derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them Kali-Chemie Pharma GmbH (DE) 1993-03-03 EP disclosed