SCHEMBL7715875

SCHEMBL7715875

O=C1CCN(c2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.59
KMT2A Q03164 3/20 0.59
HTT P42858 2/20 0.59
MAPT P10636 4/20 0.56
ALDH1A1 P00352 3/20 0.56
MAPK1 P28482 2/20 0.56
MITF O75030 1/20 0.56
CCR6 P51684 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
GRM5 P41594 2/20 0.50
HSD11B1 P28845 1/20 0.49
HTR1A P08908 1/20 0.48
CTSB P07858 1/20 0.47
AR P10275 1/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
DRD4 P21917 2/20 0.46
DRD2 P14416 1/20 0.46

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
Ethylene SCHEMBL7714748 0.97 LMNA (0.56) LMNAKMT2AHTTMAPTALDH1A1
SCHEMBL1274938 0.87 HTT (0.73) LMNAKMT2AHTTMAPTALDH1A1
SCHEMBL6953910 0.86 KMT2A (0.59) LMNAKMT2AHTTMAPTALDH1A1
SCHEMBL3799173 0.84 CTSB (0.65) LMNAKMT2AHTTMAPTALDH1A1
SCHEMBL7118705 0.84 HTT (0.64) LMNAKMT2AHTTMAPTALDH1A1
SCHEMBL29937743 0.84 CTSB (0.65) LMNAKMT2AHTTMAPTALDH1A1
SCHEMBL13790192 0.83 HTT (0.63) LMNAKMT2AHTTMAPTALDH1A1
SCHEMBL3292356 0.82 GAA (0.63) LMNAKMT2AHTTMAPTALDH1A1
SCHEMBL29738367 0.82 GAA (0.63) LMNAKMT2AHTTMAPTALDH1A1
SCHEMBL3435964 0.82 HTT (0.51) LMNAKMT2AHTTMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376503-B1 TREATMENT OF BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC 2002-04-23 US disclosed
EP-1023068-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2001-05-16 EP disclosed
EP-1023068-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-08-02 EP disclosed
WO-1998057638-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-12-23 WO disclosed