SCHEMBL8303133

SCHEMBL8303133

COc1ccccc1OCCCOCc1ccc(N2CCNCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3E A5X5Y0 2/20 0.47
▸ HTR3B O95264 2/20 0.47
▸ ADRB1 P08588 2/20 0.47
▸ HTR3A P46098 2/20 0.47
▸ HTR3D Q70Z44 2/20 0.47
▸ HTR3C Q8WXA8 2/20 0.47
▸ SIGMAR1 Q99720 2/20 0.47
▸ HTR6 P50406 2/20 0.47
▸ DRD2 P14416 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ MAPT P10636 3/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HTR1A P08908 2/20 0.45
▸ SLC6A2 P23975 1/20 0.45
▸ SLC6A4 P31645 1/20 0.45
▸ SLC6A3 Q01959 1/20 0.45
▸ HTR7 P34969 3/20 0.44
▸ REN P00797 6/20 0.44
▸ KDM4E B2RXH2 1/20 0.42

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
SCHEMBL8305730 0.82 REN (0.51) REN
SCHEMBL13344705 0.78 ADRB1 (0.53) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL6717105 0.78 REN (0.58) REN
SCHEMBL6720057 0.75 L3MBTL1 (0.51) CYP2C19MAPTLMNAHTR1AMAPK1
SCHEMBL5234835 0.75 SIGMAR1 (0.45) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL10305090 0.74 ADRB1 (0.46) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL22638141 0.74 KIT (0.57) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL8858015 0.73 ADRB1 (0.61) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL7483034 0.72 LTA4H (0.67) HTR3EHTR3BADRB1HTR3AHTR3D
Hydrochloric Acid SCHEMBL3108154 0.72 ADRB1 (0.45) HTR3EHTR3BADRB1HTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 — — WO disclosed
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