SCHEMBL7832602

SCHEMBL7832602

Cc1cc(=O)n(CCCCl)c(=O)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL1702032 0.84 TSHR (0.55) ADRA1DADRA1AADRA1BTSHR
SCHEMBL4467734 0.80 TSHR (0.43) SMN1; SMN2TSHR
SCHEMBL14592881 0.76 DAO (0.41) ADRA1DADRA1AADRA1BSMN1; SMN2TSHR
SCHEMBL7835947 0.76 ALDH1A1 (0.38) SMN1; SMN2
SCHEMBL4771370 0.76 ALDH1A1 (0.53) SMN1; SMN2TSHR
SCHEMBL8768828 0.74 SMN1; SMN2 (0.42) SMN1; SMN2
SCHEMBL6243233 0.74 KMT2A (0.55) SMN1; SMN2TSHR
SCHEMBL4770759 0.73 KMT2A (0.55) SMN1; SMN2TSHR
SCHEMBL11507992 0.72 LMNA (0.46) SMN1; SMN2TSHR
SCHEMBL13883143 0.72 SIRT1 (0.40) TSHR

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