SCHEMBL19792133

SCHEMBL19792133

C=CN1CCN(CCCCCCCCCC)C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 6/20 0.47
GNAO1 P09471 6/20 0.47
GNAI1 P63096 6/20 0.47
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 1/20 0.38
GUSB P08236 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
EBP Q15125 1/20 0.38
KCNH2 Q12809 1/20 0.36

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
SCHEMBL16487995 1.00 GNAI3 (0.47) GNAI3GNAO1GNAI1KDM4ELMNA
SCHEMBL15590866 1.00 GNAI3 (0.47) GNAI3GNAO1GNAI1KDM4ELMNA
SCHEMBL16487999 1.00 GNAI3 (0.47) GNAI3GNAO1GNAI1KDM4ELMNA
SCHEMBL15590864 1.00 GNAI3 (0.47) GNAI3GNAO1GNAI1KDM4ELMNA
SCHEMBL15590865 1.00 GNAI3 (0.47) GNAI3GNAO1GNAI1KDM4ELMNA
Bromide SCHEMBL16670293 0.98 GNAI3 (0.46) GNAI3GNAO1GNAI1KDM4ELMNA
SCHEMBL15590758 0.92 GNAI3 (0.37) GNAI3GNAO1GNAI1KDM4ELMNA
SCHEMBL15689958 0.90 HRH3 (0.37) GNAI3GNAO1GNAI1KCNH2
SCHEMBL15689947 0.90 HRH3 (0.37) GNAI3GNAO1GNAI1KCNH2
SCHEMBL15590867 0.90 HRH3 (0.37) GNAI3GNAO1GNAI1KCNH2

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
EP-3272740-A2 HIGH STABILITY DIIONIC LIQUID SALTS Sigma-Aldrich Co. LLC (US) 2018-01-24 EP disclosed