SCHEMBL8445939

SCHEMBL8445939

Cc1cnc(-c2ccccc2)n1CCCN

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
HPGDS O60760 2/20 0.40
PDE4B Q07343 1/20 0.39
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
TDP1 Q9NUW8 3/20 0.37
LIMK1 P53667 2/20 0.37
MAPK14 Q16539 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL650528 0.85 TSHR (0.65) TSHRKDM4EHSD17B10HPGDSPDE4B
SCHEMBL8445852 0.78 SMN1; SMN2 (0.42) KDM4EJAK2JAK1TYK2JAK3
SCHEMBL18419644 0.76 KDM4E (0.47) TSHRKDM4EHSD17B10HPGDSCYP11B1
SCHEMBL3863118 0.75 TSHR (0.44) TSHRTDP1ALDH1A1CYP1A2LMNA
SCHEMBL6619455 0.75 TSHR (0.51) TSHRKDM4EHSD17B10PDE4BALDH1A1
SCHEMBL8443498 0.72 TMEM97 (0.45) KDM4ETDP1LCKFYNFLT3
SCHEMBL3867359 0.71 CYP1A2 (0.37) TSHRTDP1CYP1A2MAPT
SCHEMBL8453399 0.71 HPGDS (0.58) TSHRKDM4EHSD17B10HPGDSCYP11B1
SCHEMBL19301627 0.71 KDM4E (0.43) TSHRKDM4EHSD17B10TDP1LIMK1
SCHEMBL594161 0.71 TSHR (0.63) TSHRKDM4EHSD17B10HPGDSPDE4B

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
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
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