SCHEMBL8445854

SCHEMBL8445854

CC(C)c1nccn1CCCNCc1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
CHRM2 P08172 1/20 0.47
KCNH2 Q12809 1/20 0.46
POLB P06746 1/20 0.44
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
THRB P10828 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TP53 P04637 1/20 0.43
FPR2 P25090 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
Hydrochloric Acid SCHEMBL8446885 0.99 POLB (0.46) SMN1; SMN2CHRM2KCNH2POLBCYP2D6
SCHEMBL8443179 0.83 ALDH1A1 (0.50) SMN1; SMN2CHRM2KCNH2POLBLMNA
SCHEMBL20572275 0.83 KCNH2 (0.50) SMN1; SMN2KCNH2CYP2D6TSHRCYP2C19
SCHEMBL8446096 0.81 SMN1; SMN2 (0.51) SMN1; SMN2CHRM2KCNH2POLBLMNA
SCHEMBL8446245 0.80 KCNH2 (0.46) SMN1; SMN2KCNH2CYP2D6TSHRCYP2C19
SCHEMBL8444367 0.79 CHRM2 (0.55) SMN1; SMN2CHRM2POLBLMNAKDM4E
SCHEMBL8443854 0.78 KCNH2 (0.44) SMN1; SMN2KCNH2CYP2D6TSHRCYP2C19
SCHEMBL27963398 0.78 KCNH2 (0.63) SMN1; SMN2KCNH2CYP2D6TSHRCYP2C19
SCHEMBL8445743 0.77 KMT2A (0.55) SMN1; SMN2CYP2D6TSHRCYP2C19HIF1A
Hydrochloric Acid SCHEMBL8447347 0.77 KCNH2 (0.43) SMN1; SMN2KCNH2CYP2D6TSHRCYP2C19

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 6 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
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
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