SCHEMBL28065443

SCHEMBL28065443

CC(C(=O)C(Cc1ccccc1)(c1ccccc1)C1CNCCO1)N(C)C

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 12/20 0.57
SSTR4 P31391 2/20 0.34
REN P00797 3/20 0.34
KCNH2 Q12809 2/20 0.34
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
MRGPRX2 Q96LB1 1/20 0.34
CHRM3 P20309 1/20 0.34
HRH2 P25021 1/20 0.34
HTR2A P28223 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRK1 P41145 1/20 0.34
SLC6A4 P31645 1/20 0.33

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
SCHEMBL28235297 0.82 SLC6A2 (0.61) SLC6A2SSTR4OPRM1OPRD1HTR2A
SCHEMBL5617345 0.76 SLC6A2 (0.50) SLC6A2SSTR4RENSLC6A4
SCHEMBL14203047 0.73 SLC6A2 (1.00) SLC6A2HTR2AADRA1ASLC6A4
SCHEMBL14202964 0.73 SLC6A2 (1.00) SLC6A2HTR2AADRA1ASLC6A4
Hydrochloric Acid SCHEMBL5038412 0.72 SLC6A2 (0.97) SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL5038409 0.72 SLC6A2 (0.97) SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL5433451 0.72 SLC6A2 (0.97) SLC6A2SLC6A4
SCHEMBL2921882 0.71 SLC6A2 (0.72) SLC6A2KCNH2HTR2AADRA1ASLC6A4
SCHEMBL28233543 0.70 SLC6A2 (0.56) SLC6A2SSTR4SLC6A4
SCHEMBL18284760 0.68 SLC6A2 (0.63) SLC6A2SSTR4KCNH2HTR2AADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108314926-A Rapid curing ink for screen printing 江苏马庄文化旅游发展有限公司 2018-07-24 CN claimed
CN-105567002-A Environmental-friendly type energy-saving LED (Light Emitting Diode)-UV (Ultraviolet) silk-screen printing ink and preparation method thereof BEIJING JINHONGYING TECH CO LTD 2016-05-11 CN claimed
CN-108314926-A Rapid curing ink for screen printing 江苏马庄文化旅游发展有限公司 2018-07-24 CN disclosed
CN-105567002-A Environmental-friendly type energy-saving LED (Light Emitting Diode)-UV (Ultraviolet) silk-screen printing ink and preparation method thereof BEIJING JINHONGYING TECH CO LTD 2016-05-11 CN disclosed