SCHEMBL4991848

SCHEMBL4991848

CCC1(O)CCCCC1(c1ccccc1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.36
DPP4 P27487 1/20 0.36
AKR1C1 Q04828 1/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34

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
SCHEMBL5695494 0.90 OPRM1 (0.36) OPRM1OPRL1
SCHEMBL4685647 0.76 OPRM1 (0.33) DPP4AKR1C1SLC6A4SLC6A2SLC6A3
SCHEMBL6472118 0.75 AKR1C1 (0.38) DPP4AKR1C1SLC6A4OPRM1
SCHEMBL4984844 0.71 SLC6A4 (0.38) DPP4AKR1C1SLC6A4SLC6A2SLC6A3
SCHEMBL29456941 0.69 MAOB (0.44) SLC6A4
SCHEMBL2913180 0.69 AKR1C1 (0.41) AKR1C1
SCHEMBL4540372 0.67 OPRL1 (0.39) DPP4SLC6A4OPRM1OPRL1
SCHEMBL9330358 0.65 DPP4 (0.63) DPP4SLC6A4SLC6A2SLC6A3
SCHEMBL3518757 0.65 SLC6A3 (0.42) AKR1C1SLC6A4SLC6A2SLC6A3OPRM1
SCHEMBL5853830 0.64 SLC6A4 (0.63) DPP4SLC6A4SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080227850-A1 USE OF NOREPINEPHRINE REUPTAKE MODULATORS FOR PREVENTING AND TREATING VASOMOTOR SYMPTOMS WYETH (US) 2008-09-18 US disclosed
US-7345096-B2 Use of norepinephrine reuptake modulators for preventing and treating vasomotor symptoms WYETH (US) 2008-03-18 US disclosed
EP-1551380-A1 A METHOD OF TREATING VASOMOTOR SYMPTOMS COMPRISING A COMPOUND HAVING NOREPINEPHRINE REUPTAKE INHIBITOR ACTIVITY AND 5-HT2A ANTAGONISTIC ACTIVITY Wyeth (US) 2005-07-13 EP disclosed
WO-2004035036-A1 A METHOD OF TREATING VASOMOTOR SYMPTOMS COMPRISING A COMPOUND HAVING NOREPINEPHRINE REUPTAKE INHIBITOR ACTIVITY AND 5-HT2A ANTAGONISTIC ACTIVITY WYETH (US) 2004-04-29 WO disclosed