SCHEMBL27905899

SCHEMBL27905899

CN1CCN(CCCCCS)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.53
SIGMAR1 Q99720 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44
GNAI3 P08754 2/20 0.42
GNAO1 P09471 2/20 0.42
GNAI1 P63096 2/20 0.42
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39
HTR7 P34969 2/20 0.38

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
SCHEMBL27923832 0.98 PAOX (0.50) PAOXSIGMAR1HRH3GNAI3GNAO1
SCHEMBL9277448 0.90 PAOX (0.47) PAOXSIGMAR1HRH3USP2ALDH1A1
SCHEMBL31632710 0.87 PAOX (0.64) PAOXSIGMAR1HRH3GNAI3GNAO1
SCHEMBL6659222 0.87 PAOX (0.64) PAOXSIGMAR1HRH3GNAI3GNAO1
SCHEMBL31632718 0.87 PAOX (0.64) PAOXSIGMAR1HRH3GNAI3GNAO1
SCHEMBL15340848 0.87 PAOX (0.64) PAOXSIGMAR1HRH3GNAI3GNAO1
SCHEMBL6663287 0.84 PAOX (0.60) PAOXSIGMAR1HRH3GNAI3GNAO1
SCHEMBL20234244 0.84 PAOX (0.60) PAOXSIGMAR1HRH3GNAI3GNAO1
SCHEMBL27905900 0.84 GNAI3 (0.45) PAOXHRH3GNAI3GNAO1GNAI1
SCHEMBL26506755 0.81 GNAI3 (0.42) HRH3GNAI3GNAO1GNAI1ALDH1A1

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
CN-103153329-A Use of novel cyclosporin A derivatives for the treatment and prevention of viral infections S & T GLOBAL INC 2013-06-12 CN claimed