SCHEMBL7994696

SCHEMBL7994696

CCCCN(CCCC)CCN1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.49
CXCR4 P61073 2/20 0.41
GNAO1 P09471 6/20 0.41
GNAI3 P08754 5/20 0.41
GNAI1 P63096 5/20 0.41
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
SOD3 P08294 2/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35

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
SCHEMBL19032598 0.93 GNAO1 (0.46) SIGMAR1CXCR4GNAO1GNAI3GNAI1
SCHEMBL19040849 0.93 GNAO1 (0.46) SIGMAR1CXCR4GNAO1GNAI3GNAI1
SCHEMBL20282615 0.92 SIGMAR1 (0.43) SIGMAR1CXCR4GNAO1GNAI3GNAI1
SCHEMBL23940345 0.91 GNAO1 (0.45) SIGMAR1CXCR4GNAO1GNAI3GNAI1
SCHEMBL19032353 0.91 GNAO1 (0.45) SIGMAR1CXCR4GNAO1GNAI3GNAI1
SCHEMBL19032524 0.91 GNAO1 (0.45) SIGMAR1CXCR4GNAO1GNAI3GNAI1
SCHEMBL19040685 0.91 GNAO1 (0.45) SIGMAR1CXCR4GNAO1GNAI3GNAI1
SCHEMBL19032776 0.91 GNAO1 (0.45) SIGMAR1CXCR4GNAO1GNAI3GNAI1
SCHEMBL972101 0.88 POLB (0.45) SIGMAR1CXCR4GNAO1GNAI3GNAI1
SCHEMBL23812330 0.87 SIGMAR1 (0.42) SIGMAR1CXCR4GNAO1GNAI3GNAI1

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-6284432-B1 COAT PROPERTY, HAS NOT SPECIAL COLOR UNEVENNESS AND CONTRAST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-09-04 US disclosed
EP-0606632-A1 Pigment compounds and application thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-07-20 EP disclosed