SCHEMBL7832039

SCHEMBL7832039

Cc1ccc(Cn2cc(C)c(=O)n(CCCCl)c2=O)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.40
POLB P06746 3/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRM1 P11229 5/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TRPC5 Q9UL62 1/20 0.37
PKM P14618 1/20 0.36
PKLR P30613 1/20 0.36
GAA P10253 1/20 0.36
COMT P21964 1/20 0.35

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
SCHEMBL7821710 0.86 SMN1; SMN2 (0.47) POLBLMNAHTTSMN1; SMN2TP53
SCHEMBL7832968 0.80 HPGD (0.47) POLBSMN1; SMN2TRPC5
SCHEMBL7830570 0.78 TRPC5 (0.42) HTTCHRM1ALDH1A1TRPC5
SCHEMBL7836731 0.76 MAPT (0.46) POLBLMNAMAPTSMN1; SMN2TP53
SCHEMBL7831207 0.75 GRIN1 (0.41) TNFTRPC5
SCHEMBL7833670 0.75 TRPC5 (0.40) POLBLMNAMAPTALDH1A1TRPC5
SCHEMBL7830433 0.75 KDM4E (0.45) MAPTCHRM1ALDH1A1PKMGAA
SCHEMBL7834547 0.75 TSHR (0.44) POLBLMNAMAPTHTTSMN1; SMN2
SCHEMBL7833731 0.75 PDE4A (0.41) POLBLMNAMAPTTP53ALDH1A1
SCHEMBL7832934 0.74 TRPC5 (0.35) TNFALDH1A1TRPC5

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