SCHEMBL8034171

SCHEMBL8034171

CC(C)(C)CCNCC1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.56
GNAO1 P09471 1/20 0.56
GNAI1 P63096 1/20 0.56
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
ALOX15 P16050 2/20 0.41
ANPEP P15144 1/20 0.41
ERAP2 Q6P179 1/20 0.41
TSHR P16473 1/20 0.39
SAT1 P21673 1/20 0.38
EP300 Q09472 4/20 0.38
SIGMAR1 Q99720 1/20 0.38
CREBBP Q92793 1/20 0.37
EPHX1 P07099 2/20 0.35
EPHX2 P34913 1/20 0.35
SLC6A1 P30531 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRB2 P47870 2/20 0.34
SLC6A12 P48065 2/20 0.34
SLC6A11 P48066 2/20 0.34

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
SCHEMBL13683460 0.87 SAT1 (0.48) GNAI3GNAO1GNAI1SAT1SIGMAR1
SCHEMBL19700576 0.83 SAT1 (0.41) GNAI3GNAO1GNAI1SAT1SIGMAR1
SCHEMBL8048307 0.82 ADH1B (0.42) GNAI3GNAO1GNAI1SAT1SIGMAR1
SCHEMBL13772115 0.79 GNAO1 (0.70) GNAI3GNAO1GNAI1PRMT5WDR77
SCHEMBL5963013 0.79 GNAI3 (0.75) GNAI3GNAO1GNAI1PRMT5WDR77
SCHEMBL21987001 0.78 GNAI3 (0.55) GNAI3GNAO1GNAI1PRMT5WDR77
SCHEMBL15172593 0.78 GNAI3 (0.58) GNAI3GNAO1GNAI1PRMT5WDR77
SCHEMBL669897 0.77 GNAI3 (0.56) GNAI3GNAO1GNAI1PRMT5WDR77
SCHEMBL7328368 0.76 GNAO1 (0.83) GNAI3GNAO1GNAI1PRMT5WDR77
SCHEMBL23919173 0.76 DPP4 (0.38) GNAI3GNAO1GNAI1SAT1SIGMAR1

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
WO-2009071707-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-06-11 WO disclosed