SCHEMBL4714589

SCHEMBL4714589

O=C(O)N1CCC(=Cc2cncc(Br)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
ALDH1A1 P00352 2/20 0.36
L3MBTL4 Q8NA19 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.36
SRD5A2 P31213 5/20 0.35
ALOX15 P16050 1/20 0.35
SRD5A1 P18405 2/20 0.33
PADI4 Q9UM07 1/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL5629566 0.81 GRM5 (0.42) HPGDSMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL14627745 0.79 POLB (0.35) HTTPOLBHCAR2ALOX15KDM4E
SCHEMBL5211605 0.78 HSD11B1 (0.49) HTTHPGDSMN1; SMN2ALDH1A1SRD5A2
SCHEMBL14720788 0.77 SRD5A2 (0.48) HPGDSRD5A2SRD5A1
SCHEMBL14720274 0.71 ALDH1A1 (0.39) HPGDSMN1; SMN2POLBALDH1A1SRD5A2
SCHEMBL23365279 0.71 SRD5A2 (0.39) SRD5A2SRD5A1
SCHEMBL1346266 0.70 SRD5A1 (0.40) GAASRD5A2SRD5A1
SCHEMBL901923 0.70 CHRNB2 (0.54) HTTHPGDSMN1; SMN2POLBHCAR2
SCHEMBL1013601 0.70 FAAH (0.44) POLBSRD5A1
SCHEMBL1346896 0.69 KDM4E (0.33) POLBALDH1A1GAASRD5A2SRD5A1

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-1877401-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM Elan Pharmaceuticals Inc. (US) 2008-01-16 EP disclosed
WO-2006113140-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-10-26 WO disclosed