SCHEMBL817622

SCHEMBL817622

C=Cc1ccccc1CC1CCNC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EED O75530 3/20 0.45
GBA1 P04062 1/20 0.41
SLC6A4 P31645 7/20 0.41
HRH4 Q9H3N8 3/20 0.39
HRH3 Q9Y5N1 3/20 0.39
SLC6A2 P23975 4/20 0.38
SLC6A3 Q01959 4/20 0.38
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
ATM Q13315 1/20 0.34
CYP2D6 P10635 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
SCHEMBL818253 0.91 EED (0.56) EEDHRH4HRH3CHRNB2CHRNA4
SCHEMBL818434 0.90 GBA1 (0.51) GBA1SLC6A4HRH4HRH3SLC6A2
SCHEMBL27319613 0.78 EED (0.41) EEDGBA1SLC6A4HRH4HRH3
SCHEMBL461670 0.78 EED (0.37) EEDGBA1SLC6A4SLC6A2SLC6A3
SCHEMBL29889399 0.76 SLC6A4 (0.48) EEDGBA1SLC6A4HRH4HRH3
SCHEMBL29889431 0.76 HRH4 (0.45) EEDGBA1SLC6A4HRH4HRH3
SCHEMBL7801421 0.76 EED (0.44) EEDGBA1SLC6A4HRH4HRH3
SCHEMBL28818269 0.76 SLC6A4 (0.48) EEDGBA1SLC6A4HRH4HRH3
SCHEMBL7256204 0.76 EED (0.44) EEDGBA1SLC6A4HRH4HRH3
SCHEMBL7489765 0.76 HRH4 (0.45) EEDGBA1SLC6A4HRH4HRH3

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 2 patents. 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
US-20110245398-A1 METHOD FOR PRODUCING CONJUGATED DIENE POLYMER COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-10-06 US disclosed