SCHEMBL13753545

SCHEMBL13753545

CC1CCCN1C(=O)c1ccc(N)cc1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.76
HPGD P15428 1/20 0.76
CA12 O43570 1/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA7 P43166 1/20 0.63
CA9 Q16790 1/20 0.63
CA14 Q9ULX7 1/20 0.63
LMNA P02545 1/20 0.57
ALDH1A1 P00352 2/20 0.54
NAMPT P43490 2/20 0.54
HSD11B1 P28845 2/20 0.53
HRH3 Q9Y5N1 6/20 0.52
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
PDK2 Q15119 1/20 0.48

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
SCHEMBL10720276 0.86 GAA (1.00) GAAHPGDCA12CA1CA2
SCHEMBL13753522 0.85 GAA (0.78) GAAHPGDCA12CA1CA2
SCHEMBL13761470 0.85 GAA (0.78) GAAHPGDCA12CA1CA2
SCHEMBL13753525 0.84 GAA (0.71) GAAHPGDCA12CA1CA2
SCHEMBL20370207 0.84 GAA (0.76) GAAHPGDCA12CA1CA2
SCHEMBL13753550 0.84 HPGD (0.76) GAAHPGDCA12CA1CA2
SCHEMBL12812547 0.83 HPGD (0.75) GAAHPGDCA12CA1CA2
SCHEMBL2729249 0.83 GAA (0.84) GAAHPGDCA12CA1CA2
SCHEMBL13753552 0.82 GAA (0.59) GAAHPGDCA12CA1CA2
SCHEMBL13908531 0.82 GAA (0.68) GAAHPGDCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 US disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 US disclosed