SCHEMBL8445803

SCHEMBL8445803

CC(NCCCn1ccnc1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 3/20 0.61
HMOX1 P09601 1/20 0.60
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
POLB P06746 1/20 0.52
CYP19A1 P11511 1/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
LTA4H P09960 1/20 0.49
KMT2A Q03164 1/20 0.48
CYP26A1 O43174 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL8949501 0.87 POLB (0.55) QPCTPOLBCYP19A1CACNA1B
SCHEMBL8446799 0.84 SMN1; SMN2 (0.59) QPCTKDM4EALDH1A1GAAHTT
Oxalic Acid SCHEMBL27417090 0.81 SMN1; SMN2 (0.64) QPCTKDM4EALDH1A1GAAHTT
SCHEMBL7877011 0.80 QPCT (0.66) QPCTHMOX1KDM4EALDH1A1GAA
SCHEMBL14287647 0.80 LMNA (0.53) QPCTKDM4EALDH1A1GAAHTT
SCHEMBL8445855 0.79 QPCT (0.57) QPCTPOLBCYP19A1
SCHEMBL8949474 0.79 LMNA (0.47) QPCTKDM4EALDH1A1GAAMAPT
SCHEMBL8446862 0.79 QPCT (0.61) QPCTHMOX1KDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL7873760 0.78 QPCT (0.63) QPCTHMOX1KDM4EALDH1A1GAA
SCHEMBL7369227 0.78 QPCT (0.63) QPCTHMOX1KDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5547972-A 1-(ARLALKYLAMINOALKYL) IMIDAZOLE DERIVATIVES THE BOOTS COMPANY PLC (GB) 1996-08-20 US claimed
EP-0618907-B1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS BRITISH TECH GROUP INT (GB) 1999-04-28 EP disclosed
CN-1037511-C Therapeutic agents BOOTS CO PLC (GB) 1998-02-25 CN disclosed
US-5547972-A 1-(ARLALKYLAMINOALKYL) IMIDAZOLE DERIVATIVES THE BOOTS COMPANY PLC (GB) 1996-08-20 US disclosed
WO-1995022327-A1 USE OF 1-(ARYLALKYLAMINOALKYL) IMIDAZOLES FOR TREATING NEUROLOGICAL DAMAGE KNOLL AG (DE) 1995-08-24 WO disclosed
CN-1096781-A The therapeutical agent that contains 1-(aralkyl-aminoalkyl) imidazolium compounds BOOTS CO PLC (GB) 1994-12-28 CN disclosed
EP-0618907-A1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS Knoll AG (DE) 1994-10-12 EP disclosed
WO-1993013075-A1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS THE BOOTS COMPANY PLC (GB) 1993-07-08 WO disclosed