SCHEMBL7473056

SCHEMBL7473056

CCOC(=O)[C@@H]1CCCN(CCCN2c3ccccc3OCOc3ccc(Cl)cc32)C1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
KDM4E B2RXH2 5/20 0.52
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
HTR7 P34969 2/20 0.48
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48
HTR2A P28223 1/20 0.48
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL7474196 0.88 SLC6A1 (0.50)
Hydrochloric Acid SCHEMBL7460728 0.87 SLC6A1 (0.49)
SCHEMBL8195860 0.85 ALDH1A1 (0.59) ALDH1A1KDM4ETDP1SMN1; SMN2HTR7
SCHEMBL8195865 0.85 ALDH1A1 (0.59) ALDH1A1KDM4ETDP1SMN1; SMN2HTR7
SCHEMBL8194975 0.84 ALDH1A1 (0.54) ALDH1A1KDM4ESMN1; SMN2HTR7HTR1A
SCHEMBL8196738 0.84 KDM4E (0.55) ALDH1A1KDM4EPOLBTDP1HTR7
SCHEMBL7472521 0.82 CHRM5 (0.41) KDM4ESMN1; SMN2DRD2HTR2AMAPK1
SCHEMBL8179967 0.81 ALDH1A1 (0.49) ALDH1A1KDM4EPOLBHPGDTDP1
SCHEMBL8179969 0.81 ALDH1A1 (0.49) ALDH1A1KDM4EPOLBHPGDTDP1
SCHEMBL7466060 0.81 ALDH1A1 (0.53) ALDH1A1KDM4EPOLBSMN1; SMN2

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-0851865-B1 12H-Dibenzo[d,g][1,3]dioxocine derivatives NOVO NORDISK AS (DK) 2002-07-17 EP disclosed
US-5972925-A 1-(3-(2-CHLORO-12H-DIBENZO(D,G)(1,3,6)DIOXAZOCIN-12-YL)-1-PROP YL)-3-PIPERIDINECARBOXYLIC ACID, FOR EXAMPLE; TREATING NEUROGENIC PAIN (IN WHICH C-FIBERS PLAY A ROLE) OR INFLAMMATION SUCH AS MIGRAINE OR DIABETIC NEUROPATHY NOVO NORDISK A/S (DK) 1999-10-26 US disclosed
EP-0851865-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-07-08 EP disclosed
WO-1997011071-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1997-03-27 WO disclosed