SCHEMBL5747108

SCHEMBL5747108

CN1CCC(CC(C)(C)C(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 3/20 0.43
GNAO1 P09471 3/20 0.43
GNAI1 P63096 3/20 0.43
NCF1 P14598 1/20 0.42
SSTR4 P31391 3/20 0.38
ACHE P22303 1/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
F2R P25116 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CACNA2D1 P54289 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNB1 Q02641 1/20 0.35
CACNA1C Q13936 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CHRM3 P20309 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
RIPK1 Q13546 1/20 0.33
KDM2B Q8NHM5 1/20 0.33

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
SCHEMBL24054646 0.83 THRA (0.44) ALDH1A1CHRM3THRATHRB
SCHEMBL15823588 0.81 EPHX2 (0.41) GNAI3GNAO1GNAI1ITGB3ITGA2B
SCHEMBL5789270 0.80 NCF1 (0.38) GNAI3GNAO1GNAI1NCF1SSTR4
SCHEMBL27675212 0.80 GFER (0.40) ITGB3ITGA2BF2RHRH3ALDH1A1
SCHEMBL19814985 0.79 GRM2 (0.40) ALDH1A1THRATHRB
SCHEMBL1682650 0.79 GRM2 (0.43) THRATHRB
SCHEMBL4141844 0.78 GRM2 (0.46) THRATHRB
SCHEMBL25826250 0.78 GRM2 (0.46) THRATHRB
SCHEMBL8740002 0.77 NCF1 (0.54) GNAI3GNAO1GNAI1NCF1ACHE
SCHEMBL1552181 0.76 THRA (0.39) ALDH1A1THRATHRB

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-1549309-A4 SOMATOSTATIN ANALOGUE COMPOUNDS CHEMBRIDGE RES LAB INC (US) 2006-05-17 EP disclosed
EP-1549309-A2 SOMATOSTATIN ANALOGUE COMPOUNDS ChemBridge Research Laboratories, Inc. (US) 2005-07-06 EP disclosed
WO-2003090677-A2 SOMATOSTATIN ANALOGUE COMPOUNDS CHEMBRIDGE RESEARCH LAB., LLC (US) 2003-11-06 WO disclosed