SCHEMBL6956567

SCHEMBL6956567

OC1CN(Cc2ccccc2)CCC1c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.54
MDM2 Q00987 1/20 0.54
SIGMAR1 Q99720 1/20 0.51
TRPV6 Q9H1D0 3/20 0.49
FUCA1 P04066 2/20 0.49
SLC18A3 Q16572 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CCR5 P51681 1/20 0.46
CHRM3 P20309 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL11558271 0.86 FUCA1 (0.60) SIGMAR1FUCA1SLC18A3ALDH1A1CCR5
SCHEMBL11558275 0.86 FUCA1 (0.60) SIGMAR1FUCA1SLC18A3ALDH1A1CCR5
SCHEMBL11558282 0.86 FUCA1 (0.60) SIGMAR1FUCA1SLC18A3ALDH1A1CCR5
SCHEMBL8844573 0.84 TP53 (0.59) TP53MDM2SIGMAR1TRPV6CCR5
SCHEMBL2569983 0.80 TRPV6 (0.64) TP53MDM2SIGMAR1TRPV6CCR5
SCHEMBL6042249 0.79 ACHE (0.56) FUCA1SLC18A3ALDH1A1HTT
SCHEMBL6041336 0.78 DRD2 (0.67) SIGMAR1FUCA1SLC18A3ALDH1A1HTT
SCHEMBL6041900 0.77 ACHE (0.55) FUCA1SLC18A3ALDH1A1HTT
SCHEMBL6041781 0.77 SLC18A3 (0.58) SIGMAR1FUCA1SLC18A3ALDH1A1
SCHEMBL6043310 0.77 FUCA1 (0.53) SIGMAR1FUCA1SLC18A3ALDH1A1HTT

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
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 US disclosed