SCHEMBL27645441

SCHEMBL27645441

CCCCC(CN)N1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.41
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GNAI3 P08754 5/20 0.36
GNAO1 P09471 5/20 0.36
GNAI1 P63096 5/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MEN1 O00255 1/20 0.30
PABPC1 P11940 1/20 0.30
KMT2A Q03164 1/20 0.30
HRH4 Q9H3N8 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
SCHEMBL4308594 0.88 SIGMAR1 (0.45) SIGMAR1GNAI3GNAO1GNAI1SLC6A2
SCHEMBL27645437 0.87 SIGMAR1 (0.40) SIGMAR1ALDH1A1TDP1GNAI3GNAO1
SCHEMBL21574389 0.85 SIGMAR1 (0.43) SIGMAR1GNAI3GNAO1GNAI1SLC6A2
SCHEMBL26760915 0.85 SIGMAR1 (0.43) SIGMAR1ALDH1A1TDP1GNAI3GNAO1
SCHEMBL22702329 0.83 SIGMAR1 (0.42) SIGMAR1GNAI3GNAO1GNAI1SLC6A2
SCHEMBL369682 0.82 GNAO1 (0.43) SIGMAR1GNAI3GNAO1GNAI1SLC6A2
SCHEMBL2249247 0.82 GNAI3 (0.38) SIGMAR1ALDH1A1GNAI3GNAO1GNAI1
SCHEMBL27666670 0.81 SIGMAR1 (0.41) SIGMAR1GNAI3GNAO1GNAI1SLC6A2
SCHEMBL21581280 0.81 GNAO1 (0.46) SIGMAR1GNAI3GNAO1GNAI1SLC6A2
SCHEMBL22702328 0.81 GNAO1 (0.42) SIGMAR1GNAI3GNAO1GNAI1SLC6A2

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-1867980-A Optical recording medium and compound for use in the same MITSUI CHEMICALS INC (JP) 2006-11-22 CN disclosed