SCHEMBL6961190

SCHEMBL6961190

c1ccc2cc(COC3CNCCC3c3ccc4c5c(cccc35)CC4)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 17/20 0.59
SLC6A2 P23975 3/20 0.53
SLC6A4 P31645 3/20 0.53
SLC6A3 Q01959 3/20 0.53
KCNH2 Q12809 2/20 0.53
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR7 P34969 1/20 0.49
HTR2B P41595 1/20 0.49
HTR3A P46098 1/20 0.49
HTR4 Q13639 1/20 0.49

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
SCHEMBL6041916 0.87 REN (0.66) RENSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL6041810 0.87 REN (0.66) RENSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL6041448 0.87 REN (0.66) RENSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL6960527 0.80 REN (0.67) RENSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL8295735 0.78 REN (0.57) RENSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL6954249 0.78 REN (0.72) REN
SCHEMBL6960173 0.78 REN (0.83) RENSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL6959229 0.78 REN (0.83) RENSLC6A2SLC6A4SLC6A3KCNH2
Hydrochloric Acid SCHEMBL2806237 0.78 REN (0.56) RENSLC6A2SLC6A4SLC6A3KCNH2
Hydrochloric Acid SCHEMBL2806240 0.78 REN (0.56) RENSLC6A2SLC6A4SLC6A3KCNH2

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-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed