SCHEMBL9080768

SCHEMBL9080768

CN(CCOC1c2ccccc2CCc2ccccc21)CCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.46
HTR2C P28335 1/20 0.46
SLC6A3 Q01959 1/20 0.46
RET P07949 1/20 0.43
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
OPRM1 P35372 1/20 0.39
PPARG P37231 1/20 0.39
RAB9A P51151 1/20 0.38

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
SCHEMBL9081168 0.92 HTR2C (0.47) LTA4HHTR2CSLC6A3RET
SCHEMBL9080775 0.88 HTR2C (0.47) LTA4HHTR2CSLC6A3RETGAA
SCHEMBL8934367 0.87 LTA4H (0.42) LTA4HHTR2CSLC6A3RETKMT2A
SCHEMBL8934363 0.85 MTNR1A (0.41) LTA4HHTR2CRETKMT2A
SCHEMBL8934341 0.84 LTA4H (0.40) LTA4HRETKMT2AL3MBTL1
SCHEMBL9081150 0.80 HTR2C (0.50) LTA4HHTR2CSLC6A3KMT2AGAA
SCHEMBL30729415 0.80 RET (0.66) HTR2CSLC6A3RETOPRM1
SCHEMBL8934321 0.80 LTA4H (0.40) LTA4HHTR2CSLC6A3RET
SCHEMBL9081996 0.79 RET (0.39) RETKMT2APPARG
SCHEMBL9081312 0.79 PPARG (0.40) HTR2CSLC6A3RETKMT2APPARG

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
WO-1996031460-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1996-10-10 WO claimed
WO-1996031460-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1996-10-10 WO disclosed