SCHEMBL8949501

SCHEMBL8949501

CC(NCCCn1ccnc1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
QPCT Q16769 4/20 0.53
CACNA1B Q00975 3/20 0.53
CYP19A1 P11511 2/20 0.49
SCN9A Q15858 1/20 0.47
TBXAS1 P24557 1/20 0.47
SOD1 P00441 2/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL8445803 0.87 QPCT (0.61) POLBQPCTCACNA1BCYP19A1
SCHEMBL8446799 0.84 SMN1; SMN2 (0.59) POLBQPCTLMNA
SCHEMBL8949474 0.83 LMNA (0.47) POLBQPCTLMNA
SCHEMBL8445916 0.82 QPCT (0.54) POLBQPCTLMNA
SCHEMBL8443891 0.82 HMOX1 (0.53) POLBQPCTCYP19A1LMNA
SCHEMBL8444551 0.82 CYP19A1 (0.57) POLBQPCTCYP19A1LMNA
Oxalic Acid SCHEMBL27417090 0.81 SMN1; SMN2 (0.64) POLBQPCTTBXAS1LMNA
Hydrochloric Acid SCHEMBL8444444 0.81 QPCT (0.53) POLBQPCTLMNA
SCHEMBL8445855 0.81 QPCT (0.57) POLBQPCTCYP19A1TBXAS1SOD1
SCHEMBL8444353 0.80 POLB (0.56) POLBQPCTCYP19A1SOD1LMNA

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 5 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
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
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