SCHEMBL8446891

SCHEMBL8446891

Cc1cn(CCC(=O)NC(C)(C)c2ccc(Cl)cc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCTL Q9NXS2 1/20 0.41
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
NR2E1 Q9Y466 2/20 0.39
PRCP P42785 1/20 0.38
POLB P06746 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALPL P05186 2/20 0.38
PLAA Q9Y263 1/20 0.38
ALPG P10696 1/20 0.37
MAPK1 P28482 1/20 0.37
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
QPCT Q16769 1/20 0.35
MAP3K5 Q99683 1/20 0.34

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
SCHEMBL7876923 0.85 CNR1 (0.37) QPCTLCNR1CNR2PRCPPOLB
SCHEMBL8447455 0.83 L3MBTL1 (0.53) QPCTLCNR1CNR2PRCPPOLB
SCHEMBL8444481 0.80 SMN1; SMN2 (0.50) TSHR
SCHEMBL7875302 0.79 CNR1 (0.41) CNR1CNR2PRCPPOLBMEN1
SCHEMBL8447413 0.79 POLB (0.43) CNR1CNR2PRCPPOLBMEN1
SCHEMBL8447444 0.77 POLB (0.41) CNR1CNR2PRCPPOLBMEN1
SCHEMBL8445998 0.77 QPCTL (0.48) QPCTLQPCT
SCHEMBL8446785 0.76 QPCT (0.42) QPCTLCNR1CNR2PRCPPOLB
SCHEMBL8444630 0.76 KMT2A (0.50) CNR1CNR2PRCPPOLBMEN1
SCHEMBL8949311 0.74 NPC1 (0.44) CNR1CNR2POLBMEN1KMT2A

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
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
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