SCHEMBL7821226

SCHEMBL7821226

O=CN1CCN(c2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ MAPT P10636 6/20 0.55
▸ LMNA P02545 4/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ L3MBTL1 Q9Y468 3/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ MITF O75030 1/20 0.55
▸ CCR6 P51684 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ GRM5 P41594 1/20 0.52
▸ ALDH1A3 P47895 1/20 0.51
▸ HSD11B1 P28845 1/20 0.51
▸ FAAH O00519 1/20 0.51
▸ MGLL Q99685 1/20 0.51
▸ MEN1 O00255 2/20 0.49
▸ GAA P10253 2/20 0.49
▸ DRD4 P21917 1/20 0.48
▸ ENPP2 Q13822 2/20 0.47

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
SCHEMBL1274938 0.89 HTT (0.73) HTTKMT2AMAPTLMNAALDH1A1
SCHEMBL29937743 0.82 CTSB (0.65) HTTKMT2AMAPTLMNAALDH1A1
SCHEMBL7118705 0.82 HTT (0.64) HTTKMT2AMAPTLMNAALDH1A1
SCHEMBL3799173 0.82 CTSB (0.65) HTTKMT2AMAPTLMNAALDH1A1
SCHEMBL13790192 0.81 HTT (0.63) HTTKMT2AMAPTLMNAALDH1A1
SCHEMBL3064690 0.81 HTT (0.68) HTTKMT2AMAPTLMNAALDH1A1
SCHEMBL16900643 0.81 HTT (0.63) HTTKMT2AMAPTLMNAALDH1A1
SCHEMBL29426374 0.81 HTT (0.68) HTTKMT2AMAPTLMNAALDH1A1
SCHEMBL3292356 0.81 GAA (0.63) HTTKMT2AMAPTLMNAALDH1A1
SCHEMBL29738367 0.81 GAA (0.63) HTTKMT2AMAPTLMNAALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110520127-B Piperidinyl-substituted and piperazinyl-substituted heteroaromatic carboxamides as modulators of GPR6 武田药品工业株式会社 2023-05-16 — — CN disclosed
CN-1118459-C Pyrimidinedione, pyrimidinetrione, triazinedione, tetrahydroquinazolinedione derivatives as alpha1 adrenergic receptor antagonists HOFFMANN LA ROCHE (CH) 2003-08-20 — — CN disclosed
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
CN-1149051-A Pyrimidinedione, pyrimidinetrione, triazinedione, tetrahydroquinazolinedione derivatives as alpha1 adrenergic receptor antagonists HOFFMANN LA ROCHE (CH) 1997-05-07 — — CN 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
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