SCHEMBL7835975

SCHEMBL7835975

CC(C)(COCc1ccccc1)C(=O)N1CCN(c2ccccc2OCC(F)(F)F)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.46
GRM5 P41594 4/20 0.46
ADRA1D P25100 5/20 0.44
ADRA1A P35348 5/20 0.44
ADRA1B P35368 5/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HTR1A P08908 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL8580006 0.86 ALDH1A1 (0.46) GRM5ADRA1DADRA1AADRA1BNPC1
SCHEMBL7833743 0.81 ADRA1A (0.57) ADRA1DADRA1AADRA1BHTR1ASLC6A2
SCHEMBL5240191 0.81 L3MBTL1 (0.49) ADRA1DADRA1AADRA1BHTR1AL3MBTL1
SCHEMBL18036632 0.80 ALDH1A1 (0.49) ADRA1DADRA1AADRA1BALDH1A1LMNA
SCHEMBL7961982 0.80 L3MBTL1 (0.51) ADRA1DADRA1AADRA1BNPC1ALDH1A1
SCHEMBL5339319 0.74 HTR1A (0.55) ALDH1A1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL24712880 0.73 DRD2 (0.59) ADRA1DADRA1AADRA1BALDH1A1CYP3A4
SCHEMBL5234580 0.72 GAA (0.46) ADRA1DADRA1AADRA1BNPC1ALDH1A1
SCHEMBL18036657 0.70 L3MBTL1 (0.46) ALDH1A1LMNANPSR1L3MBTL1
SCHEMBL7341055 0.70 TSHR (0.60) RAB9AALDH1A1LMNAL3MBTL1

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