SCHEMBL8661012

SCHEMBL8661012

N[C@H](CCCC(c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.61
HTR2A P28223 4/20 0.61
GRM2 Q14416 1/20 0.51
GRM3 Q14832 1/20 0.51
SIGMAR1 Q99720 1/20 0.47
TAAR1 Q96RJ0 1/20 0.46
SCN4A P35499 2/20 0.45
DPP4 P27487 2/20 0.44
F2 P00734 1/20 0.44

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
SCHEMBL17373052 0.88 SCN4A (0.50) HRH1HTR2ATAAR1SCN4ADPP4
Hydrochloric Acid SCHEMBL28350804 0.86 SCN4A (0.48) HRH1HTR2ATAAR1SCN4ADPP4
SCHEMBL2781356 0.83 DPP4 (0.55) HRH1HTR2ATAAR1SCN4ADPP4
SCHEMBL2781359 0.83 DPP4 (0.55) HRH1HTR2ATAAR1SCN4ADPP4
SCHEMBL2784864 0.83 DPP4 (0.55) HRH1HTR2ATAAR1SCN4ADPP4
SCHEMBL11681727 0.83 TAAR1 (0.43) HRH1HTR2ATAAR1SCN4ADPP4
SCHEMBL3634229 0.82 HRH1 (0.68) HRH1HTR2ATAAR1SCN4ADPP4
SCHEMBL4851319 0.80 SLC2A1 (0.50) HRH1HTR2ASCN4ADPP4
SCHEMBL5729099 0.80 SCN4A (0.48) HRH1HTR2ASCN4ADPP4F2
SCHEMBL22570767 0.80 SLC2A1 (0.50) HRH1HTR2ASCN4ADPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2728564-B2 1998-03-18 JP claimed
EP-0657029-A4 CALCIUM RECEPTOR ACTIVE MOLECULES. NPS PHARMA INC (US) 1996-02-07 EP claimed
EP-0657029-A1 CALCIUM RECEPTOR ACTIVE MOLECULES NPS PHARMACEUTICALS, INC. (US) 1995-06-14 EP claimed
WO-1993004373-A1 CALCIUM RECEPTOR ACTIVE MOLECULES NPS PHARMACEUTICALS, INC. (US) 1993-03-04 WO claimed