SCHEMBL7379928

SCHEMBL7379928

COc1ccc(CC2CCCN2C(=O)C(F)(F)F)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 16/20 0.57
HCRTR2 O43614 16/20 0.57
HSD11B1 P28845 1/20 0.48
MTNR1B P49286 1/20 0.46

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
SCHEMBL7381768 1.00 HCRTR1 (0.57) HCRTR1HCRTR2HSD11B1MTNR1B
SCHEMBL7379923 1.00 HCRTR1 (0.57) HCRTR1HCRTR2HSD11B1MTNR1B
SCHEMBL23459119 0.84 HSD11B1 (0.55) HCRTR1HCRTR2HSD11B1
SCHEMBL14417553 0.84 HSD11B1 (0.55) HCRTR1HCRTR2HSD11B1
SCHEMBL9743616 0.83 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL9743610 0.83 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL23459022 0.83 ABHD6 (0.54) HCRTR1HCRTR2HSD11B1
SCHEMBL23477764 0.80 ABHD6 (0.54) HCRTR1HCRTR2HSD11B1
SCHEMBL23477958 0.79 ESR1 (0.41) HSD11B1
SCHEMBL14417563 0.79 UTS2R (0.43) HCRTR1HCRTR2HSD11B1

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-5135944-A Bis(benzylpyrrolidine) derivatives useful for treating congestive heart failure and acute renal failure SYNTEX (U.S.A.) INC. (US) 1992-08-04 US disclosed
US-5100912-A Hypotensive agents, treatment of congestive heart failure SYNTEX (U.S.A.) INC. (US) 1992-03-31 US disclosed
EP-0426075-A1 Benzylpyrrolidine derivatives as dopamine agonists SYNTEX (U.S.A.) INC. (US) 1991-05-08 EP disclosed
EP-0404115-A1 Bis(benzylpyrrolidine)Derivatives as dopamine agonists SYNTEX (U.S.A.) INC. (US) 1990-12-27 EP disclosed