SCHEMBL8443891

SCHEMBL8443891

CC(NCCCn1ccnc1)c1ccc(Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 2/20 0.53
POLB P06746 1/20 0.52
NOS1 P29475 2/20 0.51
QPCT Q16769 4/20 0.49
LMNA P02545 2/20 0.49
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MDM2 Q00987 2/20 0.46
TP53 P04637 1/20 0.46
CYP19A1 P11511 2/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 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
SCHEMBL8445916 0.87 QPCT (0.54) POLBQPCTLMNAALDH1A1TP53
SCHEMBL8444551 0.87 CYP19A1 (0.57) POLBQPCTLMNAALDH1A1TP53
Hydrochloric Acid SCHEMBL8444444 0.86 QPCT (0.53) POLBQPCTLMNAALDH1A1TP53
SCHEMBL8445855 0.86 QPCT (0.57) POLBQPCTLMNACYP19A1
SCHEMBL8444353 0.85 POLB (0.56) POLBQPCTLMNAALDH1A1GAA
SCHEMBL8447325 0.85 QPCT (0.58) POLBQPCTLMNAALDH1A1CYP19A1
SCHEMBL8949381 0.84 NOS1 (0.55) HMOX1POLBNOS1QPCTLMNA
SCHEMBL8443995 0.83 TP53 (0.52) POLBQPCTLMNAALDH1A1TP53
SCHEMBL8444374 0.82 ALOX15 (0.55) POLBQPCTLMNACYP19A1
SCHEMBL8444572 0.82 ALDH1A1 (0.51) POLBQPCTLMNAALDH1A1TP53

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 12 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
CN-1037511-C Therapeutic agents BOOTS CO PLC (GB) 1998-02-25 CN 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
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
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