SCHEMBL7496243

SCHEMBL7496243

O=C1CCCN1COc1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
PER2 O15055 2/20 0.41
CRY2 Q49AN0 1/20 0.41
DAO P14920 1/20 0.41
ENPP2 Q13822 1/20 0.40
ADRA1B P35368 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
SCHEMBL8469734 0.82 POLB (0.51) POLBNPC1RAB9A
SCHEMBL4664868 0.75 SMN1; SMN2 (0.51) SLC6A2SLC6A3
SCHEMBL7820778 0.74 ALDH1A1 (0.48) POLB
SCHEMBL11035491 0.73 LMNA (0.54) POLBNPC1RAB9A
SCHEMBL5092543 0.72 CD274 (0.56) POLBNPC1RAB9A
Hydrochloric Acid SCHEMBL5443083 0.70 L3MBTL1 (0.52) NPC1RAB9A
SCHEMBL13096997 0.69 POLB (0.73) POLBNPC1RAB9A
SCHEMBL20201606 0.69 NPY4R (0.42) POLBNPC1RAB9A
SCHEMBL2227579 0.69 POLB (0.69) POLBNPC1RAB9A
SCHEMBL15075237 0.69 POLB (0.69) POLBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1115702-A4 SUBSTITUTED NITROGEN AND SULFUR ALICYCLIC COMPOUNDS, INCLUDING METHODS FOR SYNTHESIS THEREOF MILLENNIUM PHARM INC (US) 2002-04-17 EP disclosed
EP-1115702-A1 SUBSTITUTED NITROGEN AND SULFUR ALICYCLIC COMPOUNDS, INCLUDING METHODS FOR SYNTHESIS THEREOF Millennium Pharmaceuticals, Inc. (US) 2001-07-18 EP disclosed
WO-2000001670-A1 SUBSTITUTED NITROGEN AND SULFUR ALICYCLIC COMPOUNDS, INCLUDING METHODS FOR SYNTHESIS THEREOF LEUKOSITE, INC. (US) 2000-01-13 WO disclosed