SCHEMBL6620166

SCHEMBL6620166

CS(=O)(=O)Nc1ccc(OCC(O)CN2CC3CC(C2)CN(C(=O)O)C3)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 9/20 0.59
ADRB1 P08588 9/20 0.59
ADRB3 P13945 9/20 0.59
KCNH2 Q12809 2/20 0.55
PRMT5 O14744 2/20 0.45
WDR77 Q9BQA1 2/20 0.45
MAPK1 P28482 1/20 0.45
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL7960624 0.83 L3MBTL1 (0.57) MAPK1TSHRKDM4EPOLB
SCHEMBL6621718 0.82 MAPK1 (0.47) MAPK1KDM4EPOLB
SCHEMBL6619778 0.81 KMT2A (0.57) MAPK1TSHRKDM4EPOLB
SCHEMBL6997223 0.81 ADRB2 (0.51) ADRB2ADRB1ADRB3KCNH2MAPK1
SCHEMBL6622630 0.80 MEN1 (0.53) KCNH2MAPK1HSD17B10KDM4EPOLB
SCHEMBL6619543 0.80 MEN1 (0.53) KCNH2MAPK1HSD17B10KDM4EPOLB
SCHEMBL6995821 0.79 KCNH2 (0.53) ADRB2ADRB1ADRB3KCNH2PRMT5
SCHEMBL6624652 0.78 DRD4 (0.56) MAPK1KDM4EPOLB
SCHEMBL9470868 0.75 ADRB2 (0.65) ADRB2ADRB1ADRB3KCNH2KDM4E
SCHEMBL6622527 0.75 SMN1; SMN2 (0.41) KCNH2PRMT5WDR77MAPK1KDM4E

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-1047695-B1 NOVEL BISPIDINE ANTIARRHYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 2004-03-17 EP disclosed
US-6291475-B1 3,7-DIAZABICYCLO(3.3.1)NONANE DERIVATIVES ASTRAZENECA AB (SE) 2001-09-18 US disclosed