SCHEMBL7834161

SCHEMBL7834161

Fc1ccc(N2CCN(CCCCl)CC2)c(OCC(F)(F)F)c1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 19/20 0.65
ADRA1B P35368 18/20 0.65
ADRA1D P25100 15/20 0.65
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL6771547 0.89 ADRA1A (0.66) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
SCHEMBL28739481 0.84 LMNA (0.60) ADRA1AADRA1BADRA1D
SCHEMBL6772918 0.82 ADRA1A (0.69) ADRA1AADRA1BADRA1DCYP3A4
SCHEMBL12013914 0.79 ADRA1A (1.00) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL5422074 0.79 ADRA1A (0.66) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
SCHEMBL9536060 0.79 ADRA1B (0.60) ADRA1AADRA1BADRA1D
Hydrochloric Acid SCHEMBL7835589 0.79 ADRA1A (0.98) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
SCHEMBL6503533 0.78 ADRA1A (0.59) ADRA1AADRA1BADRA1D
SCHEMBL14300837 0.78 ADRA1A (0.83) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL7832255 0.78 ADRA1A (0.98) ADRA1AADRA1BADRA1DCYP3A4CYP2C9

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-0748800-B1 Pyrimidinedione, pyrimidinetrione, triazinedione derivatives as alpha-1-adrenergic receptor antagonists HOFFMANN LA ROCHE (CH) 2001-05-09 EP disclosed
US-5859014-A USEFUL IN TREATMENT OF DISEASES INVOLVING DIRECTLY OR INDIRECTLY AN OBSTRUCTION OF THE LOWER URINARY TRACT, SUCH ASBENIGN PROSTATE HYPERPLASIA SYNTEX (U.S.A.) INC. (US) 1999-01-12 US disclosed
EP-0748800-A2 Pyrimidinedione, pyrimidinetrione, triazinedione, tetrahydroquinazolinedione derivatives as alpha-1-adrenergic receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 1996-12-18 EP disclosed