SCHEMBL8445852

SCHEMBL8445852

Cc1cnc(Cc2ccccc2)n1CCCN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
ALOX12 P18054 1/20 0.42
SIGMAR1 Q99720 2/20 0.40
TDP1 Q9NUW8 2/20 0.38
MAOA P21397 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTR6 P50406 1/20 0.35

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
SCHEMBL3867359 0.79 CYP1A2 (0.37) HPGDTDP1TP53MAPTCYP1A2
SCHEMBL8445939 0.78 TSHR (0.46) ALDH1A1TDP1JAK2JAK1TYK2
SCHEMBL8949346 0.76 TMEM97 (0.46) SMN1; SMN2SIGMAR1TDP1MAOALMNA
SCHEMBL19301634 0.75 PADI4 (0.42) ALDH1A1TDP1LMNA
SCHEMBL8949377 0.74 HTR1A (0.43) SMN1; SMN2ALDH1A1ALOX12LMNAMEN1
SCHEMBL3863118 0.73 TSHR (0.44) SMN1; SMN2ALDH1A1HPGDTDP1LMNA
SCHEMBL19111415 0.73 KDM4E (0.44) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL3865833 0.73 SPNS2 (0.41) ALDH1A1MEN1KMT2AMAPT
SCHEMBL8443893 0.72 TLR8 (0.44) SMN1; SMN2ALDH1A1HPGDALOX12SIGMAR1
SCHEMBL1435424 0.68 TSHR (0.39) ALDH1A1LMNACYP1A2

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 4 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
US-5547972-A 1-(ARLALKYLAMINOALKYL) IMIDAZOLE DERIVATIVES THE BOOTS COMPANY PLC (GB) 1996-08-20 US 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