SCHEMBL817994

SCHEMBL817994

C=C(CC1CN1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.42
MAOB P27338 5/20 0.42
GRIK2 Q13002 6/20 0.42
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL817735 0.81 MAOA (0.40) MAOAMAOBGRIK2ALDH1A1MAPT
SCHEMBL252506 0.76 ALDH1A1 (0.51) GRIK2ALDH1A1MAPTL3MBTL1
SCHEMBL817621 0.73 SLC6A1 (0.49) MAOAMAOB
SCHEMBL2042739 0.72 MAOA (0.42) MAOAMAOB
SCHEMBL818433 0.72 GBA1 (0.50) MAOAMAOB
SCHEMBL818252 0.71 KMT2A (0.57)
SCHEMBL27362366 0.68 GRIK2 (0.45) GRIK2MAPT
SCHEMBL7990104 0.68 MAOA (0.56) MAOAMAOBALDH1A1MAPTL3MBTL1
SCHEMBL1536703 0.67 MAOA (0.56) MAOAMAOBALDH1A1MAPT
SCHEMBL1616425 0.66 MAOA (0.54) MAOAMAOBALDH1A1MAPT

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-20110275756-A1 CONJUGATED DIENE POLYMER, CONJUGATED DIENE POLYMER COMPOSITION, AND METHOD FOR PRODUCING CONJUGATED DIENE POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-10 US disclosed