SCHEMBL18893544

SCHEMBL18893544

CC(=O)C(C)CC(C)C1CCN(C)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.34
GNAI3 P08754 3/20 0.33
GNAO1 P09471 3/20 0.33
GNAI1 P63096 3/20 0.33
CHRM1 P11229 1/20 0.33
CACNA2D1 P54289 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNB1 Q02641 1/20 0.33
CACNA1C Q13936 1/20 0.33
CYP1A2 P05177 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
NCF1 P14598 1/20 0.31
CPN1 P15169 1/20 0.31
CPB2 Q96IY4 1/20 0.31

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
SCHEMBL10266053 0.75 CYP1A2 (0.38) HTR1AGNAI3GNAO1GNAI1CACNA2D1
SCHEMBL12103403 0.74 CACNA2D1 (0.40) HTR1AGNAI3GNAO1GNAI1CACNA2D1
SCHEMBL31467987 0.74 NCF1 (0.38) HTR1AGNAI3GNAO1GNAI1CACNA2D1
SCHEMBL18780643 0.74 GNAO1 (0.34) GNAI3GNAO1GNAI1NCF1CPN1
SCHEMBL12617369 0.74 CACNA2D1 (0.40) HTR1AGNAI3GNAO1GNAI1CACNA2D1
SCHEMBL8967209 0.72 NCF1 (0.38) HTR1AGNAI3GNAO1GNAI1CACNA2D1
SCHEMBL13600026 0.72 NCF1 (0.41) HTR1AGNAI3GNAO1GNAI1NCF1
SCHEMBL19534541 0.72 NCF1 (0.41) HTR1AGNAI3GNAO1GNAI1NCF1
SCHEMBL13600070 0.71 CYP1A2 (0.35) HTR1AGNAI3GNAO1GNAI1CACNA2D1
SCHEMBL13998211 0.69 CYP1A2 (0.37) GNAI3GNAO1GNAI1CYP1A2TDP1

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
US-9657079-B2 Truncated GLP-1 derivatives and their therapeutical use NOVO NORDISK A/S (DK) 2017-05-23 US disclosed