SCHEMBL7314478

SCHEMBL7314478

O=C(Cc1ccccc1OCc1ccccc1)ON1C(=O)CCC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
MAPK1 P28482 1/20 0.46
CFD P00746 4/20 0.45
F11 P03951 4/20 0.45
KLKB1 P03952 2/20 0.45
TPSB2 P20231 2/20 0.45
PLG P00747 1/20 0.45
PLAU P00749 1/20 0.45
F7 P08709 1/20 0.45
PTGER1 P34995 4/20 0.45
PTGER4 P35408 4/20 0.45
PTGER3 P43115 4/20 0.45
PTGER2 P43116 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
FOLH1 Q04609 1/20 0.43
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL7318012 0.87 NAAA (0.44) L3MBTL1KDM4EALDH1A1HPGDKMT2A
SCHEMBL7323366 0.82 KMT2A (0.46) MAPK1PTGER4PTGER2FOLH1MEN1
SCHEMBL19658180 0.81 KMT2A (0.41) MAPK1MEN1ALDH1A1LMNAMAPT
SCHEMBL12379257 0.81 HTR1A (0.51) HTR1ADRD2MAPK1PTGER1PTGER4
SCHEMBL5155762 0.81 KMT2A (0.49) L3MBTL1GAAMEN1MAPTKMT2A
SCHEMBL2450503 0.80 KMT2A (0.57) MAPK1L3MBTL1ALDH1A1HPGDKMT2A
SCHEMBL620077 0.79 MAPK14 (0.41) MAPK1PTGER1PTGER4PTGER3PTGER2
SCHEMBL8324677 0.79 L3MBTL1 (0.64) HTR1ADRD2MAPK1CFDF11
SCHEMBL8613427 0.78 POLB (0.41) MAPK1L3MBTL1GAAALDH1A1LMNA
SCHEMBL2988197 0.77 L3MBTL1 (0.56) HTR1ADRD2CFDF11KLKB1

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-6306912-B1 POLYAMINO CARBONYLAMINO ALKYL FLUORO SUBSTITUTES INDOLE COMPOUNDS NPS PHARMACEUTICALS, INC. 2001-10-23 US disclosed
EP-1123922-A2 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NPS PHARMACEUTICALS, INC. (US) 2001-08-16 EP disclosed
US-6071970-A FOR TREATING PATIENTS HAVING NEUROLOGICAL DISEASE OR DISORDER, SUCH AS STROKE, HEAD TRAUMA, SPINAL CORD INJURY, EPILEPSY, ANXIETY, OR NEURODEGENERATIVE DISEASES SUCH AS ALZHEIMER'S DISEASE, HUNTINGTON'S DISEASE, PARKINSON'S DISEASE NPS PHARMACEUTICALS, INC. (US) 2000-06-06 US disclosed
US-6051610-A COMPOUNDS USEFUL AS NEUROPROTECTANTS, ANTICONVULSANTS, ANXIOLYTICS, ANALGESICS, MUSCLE RELAXANTS OR ADJUVANTS TO GENERAL ANESTHETICS NPS PHARMACEUTICALS, INC. (US) 2000-04-18 US disclosed