SCHEMBL9113170

SCHEMBL9113170

[CH2]CCCCCN1CCNC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.47
HRH3 Q9Y5N1 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
GNAO1 P09471 5/20 0.33
GNAI3 P08754 4/20 0.33
GNAI1 P63096 4/20 0.33
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SOD3 P08294 2/20 0.32
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL4720533 0.91
SCHEMBL55508 0.87 CXCR4 (0.61) CXCR4HRH3SIGMAR1GNAO1GNAI3
SCHEMBL1282474 0.85 CXCR4 (0.57) CXCR4HRH3SIGMAR1GNAO1GNAI3
SCHEMBL1289987 0.82
SCHEMBL11122184 0.79 GNAO1 (0.51) CXCR4SIGMAR1GNAO1GNAI3GNAI1
SCHEMBL15232418 0.79 GNAO1 (0.51) CXCR4SIGMAR1GNAO1GNAI3GNAI1
SCHEMBL10633517 0.79 GNAO1 (0.51) CXCR4SIGMAR1GNAO1GNAI3GNAI1
SCHEMBL1189178 0.79 GNAO1 (0.51) CXCR4SIGMAR1GNAO1GNAI3GNAI1
SCHEMBL15743617 0.79 GNAO1 (0.51) CXCR4SIGMAR1GNAO1GNAI3GNAI1
SCHEMBL5680204 0.79 GNAO1 (0.51) CXCR4SIGMAR1GNAO1GNAI3GNAI1

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
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO disclosed