SCHEMBL8443379

SCHEMBL8443379

CCC(CC)(NCCCn1ccnc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.52
CYP11B2 P19099 2/20 0.52
SOD1 P00441 1/20 0.50
QPCT Q16769 5/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
CYP19A1 P11511 1/20 0.48
ALDH1A1 P00352 1/20 0.47
POLB P06746 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
SCHEMBL8447407 0.87 QPCT (0.52) QPCTSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL8445789 0.86 QPCT (0.51) QPCTSMN1; SMN2ALDH1A1
SCHEMBL13696720 0.84 CYP11B1 (0.55) CYP11B1CYP11B2SOD1QPCTSMN1; SMN2
SCHEMBL8975975 0.83 CYP11B1 (0.57) CYP11B1CYP11B2SOD1QPCTSMN1; SMN2
SCHEMBL7877031 0.79 AGER (0.47) CYP11B1CYP11B2POLB
SCHEMBL8444382 0.77 GSK3A (0.48) CYP11B1CYP11B2SOD1QPCTSMN1; SMN2
Hydrochloric Acid SCHEMBL8445872 0.76 ALDH1A1 (0.47) CYP11B1CYP11B2SOD1QPCTSMN1; SMN2
SCHEMBL8443495 0.76 CYP11B1 (0.49) CYP11B1CYP11B2SMN1; SMN2ALDH1A1POLB
SCHEMBL19352790 0.76 QPCT (0.54) SOD1QPCTCYP19A1ALDH1A1
SCHEMBL8443443 0.75 CPB2 (0.36) QPCT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
JP-2633087-B2 1997-07-23 JP claimed
WO-1995022327-A1 USE OF 1-(ARYLALKYLAMINOALKYL) IMIDAZOLES FOR TREATING NEUROLOGICAL DAMAGE KNOLL AG (DE) 1995-08-24 WO claimed
EP-0618907-A1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS Knoll AG (DE) 1994-10-12 EP claimed
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 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
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