SCHEMBL7548669

SCHEMBL7548669

COc1ccc(C2(CC#N)CCCCC2O)cc1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 18/20 0.67
SLC6A4 P31645 17/20 0.67
SLC6A2 P23975 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL11078094 0.85 SLC6A4 (0.52) SLC6A3SLC6A4SLC6A2
SCHEMBL27734923 0.83 SLC6A3 (0.73) SLC6A3SLC6A4SLC6A2
SCHEMBL3516070 0.80 SLC6A3 (1.00) SLC6A3SLC6A4
SCHEMBL3518982 0.80 SLC6A4 (1.00) SLC6A3SLC6A4SLC6A2
SCHEMBL8239412 0.80 SLC6A3 (1.00) SLC6A3SLC6A4
SCHEMBL3516074 0.80 SLC6A3 (1.00) SLC6A3SLC6A4
SCHEMBL3516075 0.80 SLC6A3 (1.00) SLC6A3SLC6A4
SCHEMBL3518984 0.80 SLC6A4 (1.00) SLC6A3SLC6A4SLC6A2
SCHEMBL3519583 0.80 SLC6A4 (1.00) SLC6A3SLC6A4SLC6A2
SCHEMBL3519584 0.80 SLC6A4 (1.00) SLC6A3SLC6A4SLC6A2

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-2002046140-A1 NOVEL CRYSTALLINE POLYMORPHIC FORMS OF VENLAFAXINE HYDROCHLORIDE AND A PROCESS FOR THEIR PREPARATION DR. REDDY'S LABORATORIES LTD. (IN) 2002-06-13 WO disclosed