SCHEMBL818434

SCHEMBL818434

C=Cc1ccccc1CC1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.51
SLC6A4 P31645 8/20 0.50
SLC6A2 P23975 2/20 0.37
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HTR3A P46098 1/20 0.36
KCNH2 Q12809 1/20 0.36
SLC18A3 Q16572 1/20 0.35
SIGMAR1 Q99720 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
SCHEMBL817622 0.90 EED (0.45) GBA1SLC6A4SLC6A2HRH4HRH3
SCHEMBL461670 0.84 EED (0.37) GBA1SLC6A4SLC6A2
SCHEMBL28086804 0.83 GBA1 (0.51) GBA1SLC6A4
SCHEMBL818253 0.81 EED (0.56) HRH4HRH3
SCHEMBL25173673 0.74 SLC6A4 (0.58) GBA1SLC6A4HRH4HRH3
SCHEMBL817995 0.74 ALDH1A1 (0.36)
SCHEMBL3966077 0.74 GBA1 (0.56) GBA1SLC6A4SLC6A2KCNH2
SCHEMBL21800055 0.74 GBA1 (0.56) GBA1SLC6A4SLC6A2HRH4HRH3
SCHEMBL2389281 0.74 SLC6A4 (0.58) GBA1SLC6A4SLC6A2HRH4HRH3
SCHEMBL6383375 0.74 GBA1 (0.56) GBA1SLC6A4SLC6A2HRH4HRH3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117567685-B High-wear-resistance solution polymerized styrene-butadiene rubber and preparation method thereof 新疆独山子石油化工有限公司 2024-04-16 CN claimed
CN-117567685-A High-wear-resistance solution polymerized styrene-butadiene rubber and preparation method thereof 新疆独山子石油化工有限公司 2024-02-20 CN claimed
CN-117567685-B High-wear-resistance solution polymerized styrene-butadiene rubber and preparation method thereof 新疆独山子石油化工有限公司 2024-04-16 CN disclosed
CN-117567685-A High-wear-resistance solution polymerized styrene-butadiene rubber and preparation method thereof 新疆独山子石油化工有限公司 2024-02-20 CN disclosed
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