SCHEMBL3390986

SCHEMBL3390986

CCCCCCCCCC[CH]C1CCCN1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.41
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
TSHR P16473 2/20 0.34

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
SCHEMBL2090139 0.93 SLC6A2 (0.41) PRCPSLC6A2SLC6A4SLC6A3
SCHEMBL27466565 0.80 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3TSHR
SCHEMBL447293 0.76
SCHEMBL26491308 0.70 SLC6A2 (0.48) PRCPSLC6A2SLC6A4SLC6A3
SCHEMBL20622101 0.70 SLC6A2 (0.48) PRCPSLC6A2SLC6A4SLC6A3
SCHEMBL19242291 0.70 SLC6A2 (0.48) PRCPSLC6A2SLC6A4SLC6A3
SCHEMBL6163254 0.70 TSHR (0.41) TSHR
SCHEMBL1524591 0.70 TSHR (0.41) TSHR
SCHEMBL1534018 0.70 TSHR (0.41) TSHR
SCHEMBL6159886 0.70 TSHR (0.41) TSHR

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-2010043633-A1 2H-PYRAZOLO [4,3-D]PYRIMIDIN-5-AMINE DERIVATIVES AS H4 HISTAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ALLERGIC, IMMUNOLOGICAL AND INFLAMMATORY DISEASES PALAU PHARMA, S. A. (ES) 2010-04-22 WO disclosed