SCHEMBL8557565

SCHEMBL8557565

Cc1ccnc(N2CCN(CCc3c(C)n4c5c(cccc35)CCC4)CC2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.77
HTR2A P28223 3/20 0.54
HTR2C P28335 1/20 0.54
DRD2 P14416 5/20 0.43
DRD4 P21917 4/20 0.43
DRD3 P35462 4/20 0.43
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KCNH2 Q12809 1/20 0.39
BCL2L1 Q07817 1/20 0.38
MCL1 Q07820 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
Hydrochloric Acid SCHEMBL8555007 0.99 ALOX5 (0.75) ALOX5HTR2AHTR2CDRD2DRD4
SCHEMBL8554776 0.97 ALOX5 (0.73) ALOX5HTR2AHTR2CDRD2DRD4
Hydrochloric Acid SCHEMBL8555946 0.96 ALOX5 (0.71) ALOX5HTR2AHTR2CDRD2DRD4
SCHEMBL8554623 0.95 ALOX5 (0.70) ALOX5HTR2AHTR2CDRD2DRD4
Hydrochloric Acid SCHEMBL9304050 0.94 ALOX5 (0.69) ALOX5HTR2AHTR2CDRD2DRD4
SCHEMBL8560149 0.90 ALOX5 (0.63) ALOX5HTR2AHTR2CDRD2DRD4
SCHEMBL8557119 0.89 ALOX5 (0.64) ALOX5HTR2AHTR2CDRD2DRD4
SCHEMBL9305812 0.88 ALOX5 (0.63) ALOX5HTR2AHTR2CDRD2DRD4
SCHEMBL9305806 0.87 ALOX5 (0.62) ALOX5HTR2AHTR2CDRD2DRD4
SCHEMBL8555043 0.87 ALOX5 (0.80) ALOX5HTR2AHTR2CDRD2DRD4

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
JP-5208956-A None JP disclosed
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
JP-H05208956-A 1,7-FUSED 2-(PIPERAZINOALKYL)INDOLE DERIVATIVE, PROCESS FOR PRODUCTION THEREOF, INTERMEDIATE PRODUCT, AND MEDICAMENT CONTAINING THE COMPOUND AND HAVING ANTIINFLAMMATORY OR ANTIALLERGIC ACTION KALI CHEM PHARMA GMBH 1993-08-20 JP 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