SCHEMBL7501442

SCHEMBL7501442

CN(C)CCC1(O)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.34
HTR2A P28223 1/20 0.34
HTR7 P34969 1/20 0.34
SLC6A2 P23975 5/20 0.33
SLC6A4 P31645 5/20 0.33
OPRM1 P35372 3/20 0.33
OPRL1 P41146 2/20 0.33
SLC6A3 Q01959 2/20 0.33
MAPT P10636 1/20 0.32
LMNA P02545 2/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL30171993 0.77 OPRM1 (0.31) OPRM1OPRL1
SCHEMBL595778 0.76 CYP2C19 (0.37)
SCHEMBL27628685 0.76 MEN1 (0.39)
SCHEMBL23042634 0.75 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3
SCHEMBL2331297 0.75 SLC6A3 (0.41) SLC6A2SLC6A4OPRM1SLC6A3
Hydrochloric Acid SCHEMBL8611493 0.73 SLC6A4 (0.39) SLC6A2SLC6A4OPRM1SLC6A3
SCHEMBL5049749 0.72 SLC6A4 (0.35) SLC6A4OPRM1OPRL1SLC6A3
SCHEMBL1988629 0.72 SLC6A4 (0.35) SLC6A4OPRM1OPRL1SLC6A3
SCHEMBL9654521 0.72 RYR2 (0.33) OPRM1OPRL1
SCHEMBL322047 0.72 SLC6A4 (0.35) SLC6A4OPRM1OPRL1SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002028816-A1 SUBSTITUTED 5-AMINO-1-PENTENE-3-OL DERIVATIVES BUSCHMANN, HELMUT 2002-04-11 WO disclosed