SCHEMBL9026284

SCHEMBL9026284

COc1ccc(CCN2CCCC2)cc1N(C)c1occ2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.47
HRH3 Q9Y5N1 4/20 0.44
EBP Q15125 2/20 0.43
TMEM97 Q5BJF2 1/20 0.43
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EBPL Q9BY08 1/20 0.40
LTA4H P09960 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
SCHEMBL9220066 0.90 MEN1 (0.42)
SCHEMBL9026945 0.83 HTR1A (0.52)
SCHEMBL9026126 0.83 HRH3 (0.48) HRH3
SCHEMBL9026614 0.79 SIGMAR1 (0.43) SIGMAR1EBPTMEM97LMNANPSR1
SCHEMBL9025857 0.78 SIGMAR1 (0.40) SIGMAR1EBPTMEM97LMNANPSR1
SCHEMBL9031394 0.78 SIGMAR1 (0.40) SIGMAR1EBPTMEM97LMNANPSR1
SCHEMBL9029451 0.78 SIGMAR1 (0.40) SIGMAR1EBPTMEM97LMNANPSR1
SCHEMBL9026266 0.78 SIGMAR1 (0.40) SIGMAR1HRH3EBPTMEM97LMNA
SCHEMBL9030858 0.78 KDM4E (0.39) LMNA
SCHEMBL9025554 0.77 MAPK14 (0.39) LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711290-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1996-05-15 EP disclosed
WO-1995004052-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1995-02-09 WO disclosed