SCHEMBL7832503

SCHEMBL7832503

CC(C)(CO)C(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.59
MAPT P10636 5/20 0.54
LMNA P02545 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 4/20 0.53
USP2 O75604 2/20 0.53
TSHR P16473 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HTR1A P08908 1/20 0.50
HTR7 P34969 1/20 0.50
GRM5 P41594 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
AKR1C3 P42330 1/20 0.50
ME2 P23368 1/20 0.49
ME1 P48163 1/20 0.49
ME3 Q16798 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 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
SCHEMBL8241506 0.83 MAPK1 (0.66) MAPK1MAPTLMNANPSR1ALDH1A1
SCHEMBL314363 0.80 HTR7 (0.53) MAPK1MAPTLMNANPSR1ALDH1A1
SCHEMBL766187 0.80 RBP4 (0.66) AKR1C3SMN1; SMN2
SCHEMBL8185644 0.79 ALDH1A1 (0.68) MAPK1MAPTLMNAALDH1A1TSHR
SCHEMBL1576239 0.77 MAPK1 (0.76) MAPK1MAPTLMNANPSR1ALDH1A1
SCHEMBL13945692 0.76 ME2 (0.64) MAPTLMNANPSR1ALDH1A1USP2
SCHEMBL21551733 0.76 RIPK1 (0.36) LMNAALDH1A1MEN1KMT2ACYP2C19
SCHEMBL4670098 0.74 USP2 (0.72) MAPK1MAPTLMNANPSR1ALDH1A1
SCHEMBL10100896 0.74 MEN1 (0.57) MAPK1MAPTLMNANPSR1ALDH1A1
SCHEMBL631962 0.74 ALDH1A1 (0.69) MAPK1MAPTLMNANPSR1ALDH1A1

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