SCHEMBL7700153

SCHEMBL7700153

O=C(O)C=CCCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 14/20 0.43
TBXAS1 P24557 2/20 0.38
GPR52 Q9Y2T5 3/20 0.36
NMBR P28336 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
SCHEMBL7700148 1.00 SIRT2 (0.43) SIRT2TBXAS1GPR52NMBR
SCHEMBL28361768 0.87 SIRT2 (0.42) SIRT2NMBR
SCHEMBL9263513 0.85 MAPT (0.46) SIRT2NMBR
SCHEMBL9263509 0.85 MAPT (0.46) SIRT2NMBR
SCHEMBL1040511 0.82 SIRT2 (0.49) SIRT2NMBR
SCHEMBL7972750 0.81 SIRT2 (0.48) SIRT2NMBR
SCHEMBL1041256 0.81 GPR52 (0.48) SIRT2GPR52
SCHEMBL1041255 0.81 GPR52 (0.48) SIRT2GPR52
SCHEMBL877785 0.80 SIRT2 (0.46) SIRT2NMBR
SCHEMBL1040962 0.80 SIRT2 (0.46) SIRT2NMBR

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
US-6355665-B1 ANTIHISTAMINES, ANTIALLERGENS AND IRRITABLE BOWEL SYNDROME. JAMES BLACK FOUNDATION LIMITED (GB) 2002-03-12 US disclosed