SCHEMBL20078604

SCHEMBL20078604

CCCC(C)(C)C1CNCCO1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.38
ADRB2 P07550 1/20 0.33
HTR1A P08908 1/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SSTR4 P31391 1/20 0.32

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
SCHEMBL26316830 0.89 SLC6A2 (0.36) SLC6A2ADRB2HTR1AHTR2ASLC6A4
SCHEMBL15499257 0.86 SLC6A2 (0.39) SLC6A2ADRB2HTR1AHTR2ASLC6A4
SCHEMBL19370313 0.86 SLC6A2 (0.39) SLC6A2ADRB2HTR1AHTR2ASLC6A4
SCHEMBL6142277 0.86 SLC6A2 (0.35) SLC6A2ADRB2HTR1AHTR2ASLC6A4
SCHEMBL15496986 0.82 SLC6A2 (0.39) SLC6A2ADRB2HTR1AHTR2ASLC6A4
SCHEMBL5981607 0.81 SLC6A2 (0.41) SLC6A2HTR1ASSTR4
Hydrochloric Acid SCHEMBL11426752 0.81 SLC6A2 (0.38) SLC6A2ADRB2HTR1AHTR2ASLC6A4
SCHEMBL8916691 0.81 SLC6A2 (0.38) SLC6A2SSTR4
SCHEMBL22081057 0.78 SLC6A2 (0.36) SLC6A2SSTR4
SCHEMBL21757271 0.78 SSTR4 (0.46) SLC6A2SSTR4

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
CN-111801355-B Polymer material and method for producing same 国立大学法人大阪大学 2023-02-28 CN disclosed
US-9951045-B2 Indazole compounds as 5-HT4 receptor agonists SUVEN LIFE SCIENCES LIMITED (IN) 2018-04-24 US disclosed