SCHEMBL7917431

SCHEMBL7917431

NCN1CCN(C(N)=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
PIK3CD O00329 1/20 0.34
TSHR P16473 2/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALOX15 P16050 2/20 0.32
SIGMAR1 Q99720 1/20 0.32
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL572569 0.81 ALDH1A1 (0.45) LTA4HALDH1A1HTTNPSR1HTR1A
SCHEMBL422638 0.81
SCHEMBL12862298 0.78 PIK3CD (0.57) ALDH1A1NPSR1PIK3CDKDM4EL3MBTL1
SCHEMBL1115936 0.78 SMN1; SMN2 (0.52) ALDH1A1KDM4E
SCHEMBL14392151 0.78 KEAP1 (0.47) LTA4HALOX15SIGMAR1
SCHEMBL24803014 0.76 GAA (0.40) ALDH1A1TSHRGAAKDM4EL3MBTL1
SCHEMBL2847464 0.76 HSD11B1 (0.49) LTA4HALDH1A1HTTTSHRPOLB
SCHEMBL10826454 0.76 HSD17B10 (0.48) LTA4HALDH1A1TSHRPOLBPKM
SCHEMBL31416857 0.76 SIGMAR1 (0.44) LTA4HHTR1AHTR7ALOX15SIGMAR1
SCHEMBL20038482 0.75 KDM4E (0.58) ALDH1A1TSHRPOLBPKMGAA

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
US-6214604-B1 PURE CULTURE OF BURKHOLDERIA STRAIN DSM 9925 LONZA AG (CH) 2001-04-10 US claimed
US-6214604-B1 PURE CULTURE OF BURKHOLDERIA STRAIN DSM 9925 LONZA AG (CH) 2001-04-10 US disclosed