SCHEMBL9615142

SCHEMBL9615142

CCCCCn1c2c(c3cc(C)ccc31)CCNC2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 11/20 0.64
SIRT1 Q96EB6 5/20 0.64
PGR P06401 1/20 0.43
RORA P35398 1/20 0.43
RORC P51449 1/20 0.43
RORB Q92753 1/20 0.43
ADRA2A P08913 2/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR7 P34969 2/20 0.42
ADRA1A P35348 2/20 0.42
HRH1 P35367 2/20 0.42
HTR6 P50406 2/20 0.42
TLR8 Q9NR97 1/20 0.41
DRD2 P14416 1/20 0.41
CYP3A4 P08684 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PABPC1 P11940 1/20 0.40

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
Hydrochloric Acid SCHEMBL9615130 0.99 SIRT2 (0.62) SIRT2SIRT1PGRRORARORC
SCHEMBL9696716 0.87 SIRT2 (0.55) SIRT2SIRT1HRH1HTR6CYP3A4
SCHEMBL9615110 0.84 NPC1 (0.54) SIRT2SIRT1ADRA2AHTR2AHTR2C
Hydrochloric Acid SCHEMBL9615105 0.82 KDM4E (0.53) SIRT2SIRT1ADRA2AHTR2AHTR2C
SCHEMBL15536943 0.78 SIRT2 (1.00) SIRT2SIRT1
Hydrochloric Acid SCHEMBL8820362 0.78 SIRT2 (0.43) SIRT2SIRT1ADRA2AHTR2AHTR2C
SCHEMBL9396418 0.77 SIRT2 (0.46) SIRT2SIRT1ADRA2AHTR2AHTR2C
SCHEMBL13654434 0.77 HRH1 (0.67) SIRT2SIRT1ADRA2AHTR2AHTR2C
SCHEMBL15549479 0.76 SIRT2 (0.68) SIRT2SIRT1HRH1HTR6CYP3A4
SCHEMBL15550724 0.76 SIRT2 (0.67) SIRT2SIRT1CYP3A4NPC1RAB9A

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-5169852-A Anorexigenic agents NEUREX CORPORATION (US) 1992-12-08 US disclosed
EP-0520987-A4 METHOD OF SUPPRESSING APPETITE BY ADMINISTRATION OF TETRAHYDRO--g(b)-CARBOLINE DERIVATIVES. NEUREX CORP (US) 1992-05-13 EP disclosed