SCHEMBL817652

SCHEMBL817652

C=C(C)c1ccccc1CC1CCNC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.40
SLC6A2 P23975 5/20 0.40
EED O75530 4/20 0.40
SLC6A3 Q01959 3/20 0.40
GBA1 P04062 1/20 0.39
USP30 Q70CQ3 1/20 0.39
GRIK1 P39086 2/20 0.38
HRH4 Q9H3N8 3/20 0.37
HRH3 Q9Y5N1 3/20 0.37
KDM1A O60341 1/20 0.36
MAOB P27338 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
SCHEMBL818681 0.92 EED (0.50) SLC6A4SLC6A2EEDSLC6A3GRIK1
SCHEMBL817950 0.91 GBA1 (0.49) SLC6A4SLC6A2SLC6A3GBA1KDM1A
SCHEMBL28818269 0.76 SLC6A4 (0.48) SLC6A4SLC6A2EEDSLC6A3GBA1
SCHEMBL816887 0.76 GRIK1 (0.34) GRIK1
SCHEMBL29889399 0.76 SLC6A4 (0.48) SLC6A4SLC6A2EEDSLC6A3GBA1
SCHEMBL614993 0.73 EED (0.40) SLC6A4SLC6A2EEDSLC6A3GBA1
SCHEMBL7256204 0.73 EED (0.44) SLC6A4SLC6A2EEDSLC6A3GBA1
SCHEMBL7801421 0.73 EED (0.44) SLC6A4SLC6A2EEDSLC6A3GBA1
SCHEMBL7489765 0.73 HRH4 (0.45) SLC6A4SLC6A2EEDSLC6A3GBA1
SCHEMBL29889431 0.73 HRH4 (0.45) SLC6A4SLC6A2EEDSLC6A3GBA1

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