SCHEMBL8557855

SCHEMBL8557855

Cc1ccnc(N2CCN(C(=O)Cc3c(C)n4c5c(cc(C(=O)C(C)C)cc35)CCC4)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.55
KDM4E B2RXH2 10/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 5/20 0.39
HTT P42858 2/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PARP1 P09874 1/20 0.39
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
MAPK1 P28482 1/20 0.36
CPT2 P23786 1/20 0.36
CPT1A P50416 1/20 0.36
CPT1B Q92523 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
SMO Q99835 2/20 0.33
HPGD P15428 2/20 0.33

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
SCHEMBL8555671 0.87 ALOX5 (0.74) ALOX5KDM4EALDH1A1PARP1KMT2A
SCHEMBL8557862 0.87 ALOX5 (0.55) ALOX5KDM4ESMN1; SMN2ALDH1A1HTT
SCHEMBL8556392 0.86 ALOX5 (0.59) ALOX5KDM4ESMN1; SMN2ALDH1A1HTT
Hydrochloric Acid SCHEMBL8554866 0.86 ALOX5 (0.73) ALOX5KDM4EALDH1A1PARP1KMT2A
SCHEMBL8554000 0.84 ALOX5 (0.55) ALOX5KDM4ESMN1; SMN2ALDH1A1HTT
SCHEMBL8553132 0.83 ALOX5 (0.55) ALOX5KDM4ESMN1; SMN2ALDH1A1HTT
SCHEMBL8554233 0.82 ALOX5 (0.53) ALOX5KDM4ESMN1; SMN2ALDH1A1HTT
SCHEMBL8553972 0.77 MEN1 (0.45) ALOX5KDM4EALDH1A1HSD17B10LMNA
SCHEMBL9304984 0.76 ALOX5 (0.45) ALOX5KDM4ESMN1; SMN2ALDH1A1HTT
SCHEMBL8552282 0.76 ALOX5 (0.59) ALOX5KDM4ESMN1; SMN2ALDH1A1HTT

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 3 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
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