SCHEMBL8445807

SCHEMBL8445807

CC(NCCCn1ccnc1)c1ccc(Cl)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
LMNA P02545 2/20 0.47
POLB P06746 2/20 0.44
QPCT Q16769 2/20 0.44
IDO1 P14902 1/20 0.43
CYP19A1 P11511 2/20 0.42
GPR139 Q6DWJ6 1/20 0.42
MAPT P10636 1/20 0.42
IKBKB O14920 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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 SCHEMBL8443909 0.99 ALOX15 (0.47) ALOX15HSD17B10LMNAPOLBQPCT
SCHEMBL8444374 0.91 ALOX15 (0.55) ALOX15HSD17B10LMNAPOLBQPCT
SCHEMBL8443654 0.87 HSD17B10 (0.49) ALOX15HSD17B10LMNAPOLBQPCT
SCHEMBL8443077 0.86 ALOX15 (0.46) ALOX15HSD17B10LMNAPOLBQPCT
SCHEMBL27288444 0.84 ALOX15 (0.47) ALOX15HSD17B10LMNAPOLBQPCT
SCHEMBL8444551 0.83 CYP19A1 (0.57) HSD17B10LMNAPOLBQPCTCYP19A1
SCHEMBL8445916 0.83 QPCT (0.54) LMNAPOLBQPCTSMN1; SMN2
Hydrochloric Acid SCHEMBL8444444 0.82 QPCT (0.53) LMNAPOLBQPCTSMN1; SMN2
SCHEMBL8444476 0.81 KMT2A (0.56) ALOX15HSD17B10LMNAPOLBQPCT
SCHEMBL8446230 0.80 ALOX15 (0.48) ALOX15HSD17B10LMNAPOLBQPCT

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 7 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
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