SCHEMBL4085148

SCHEMBL4085148

CN(C)C(CC1(O)CCCCC1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.44
FFAR1 O14842 2/20 0.43
PTGS1 P23219 2/20 0.42
PTGS2 P35354 2/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
SLC6A2 P23975 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HIF1A Q16665 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAOB P27338 2/20 0.40
EGFR P00533 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
SCHEMBL4632472 0.83 CHRNB2 (0.43) LMNASLC6A2SLC6A3
SCHEMBL4361544 0.81 LMNA (0.45) ALOX5FFAR1PTGS1PTGS2LMNA
SCHEMBL902225 0.81 SLC6A2 (0.56) LMNASLC6A2SLC6A3
SCHEMBL4967524 0.81 SLC6A2 (0.56) LMNASLC6A2SLC6A3
SCHEMBL2761798 0.81 SLC6A2 (0.56) LMNASLC6A2SLC6A3
Hydrochloric Acid SCHEMBL4739317 0.80 SLC6A2 (0.56) LMNASLC6A2SLC6A3
Hydrochloric Acid SCHEMBL3349919 0.80 SLC6A2 (0.56) LMNASLC6A2SLC6A3
SCHEMBL8028820 0.79 SLC6A2 (0.52) PTGS1LMNACYP1A2SLC6A2CYP2C19
SCHEMBL902452 0.79 SLC6A2 (0.52) PTGS1LMNACYP1A2SLC6A2CYP2C19
SCHEMBL8028845 0.79 SLC6A2 (0.52) PTGS1LMNACYP1A2SLC6A2CYP2C19

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-2009010990-A2 PROCESS FOR THE PREPARATION OF O-DESMETHYLVENLAFAXINE SUCCINATE POLYMORPHIC FORMS MATRIX LABORATORIES LIMITED (IN) 2009-01-22 WO disclosed