SCHEMBL6928599

SCHEMBL6928599

[CH2]C1CC2CC1c1ccccc12

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
KDM1A O60341 4/20 0.33
KDM1B Q8NB78 1/20 0.33
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 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
SCHEMBL18544377 0.74 CHRNB4 (0.43) CHRNB4CHRNA3KDM1AKDM1B
SCHEMBL7357341 0.73 CHRNB4 (0.41) CHRNB4CHRNA3KDM1AKDM1BCHRNB2
SCHEMBL5341308 0.73 KDM1A (0.57) KDM1AKDM1B
SCHEMBL7329321 0.73 KDM1A (0.57) KDM1AKDM1B
SCHEMBL956736 0.73 CHRNB4 (0.41) CHRNB4CHRNA3KDM1AKDM1BCHRNB2
SCHEMBL10486425 0.73 CHRNB4 (0.41) CHRNB4CHRNA3KDM1AKDM1BCHRNB2
SCHEMBL14284253 0.73 KDM1A (0.57) KDM1AKDM1B
SCHEMBL7329314 0.73 KDM1A (0.57) KDM1AKDM1B
SCHEMBL5704636 0.73 KDM1A (0.57) KDM1AKDM1B
SCHEMBL9442858 0.72 CHRNB4 (0.38) CHRNB4CHRNA3KDM1AKDM1B

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-0667353-B1 Glycopeptide antibiotic derivatives LILLY CO ELI (US) 2003-10-29 EP disclosed
US-6518243-B1 Desleucyl glycopeptide antibiotics and methods of making same TRUSTEES OF PRINCETON UNIVERSITY 2003-02-11 US disclosed
EP-1016670-A1 Glycopeptide antibiotic derivatives ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
US-5977062-A ACTIVE AGAINST ANTIBIOTIC RESISTANT BACTERIA ELI LILLY AND COMPANY (US) 1999-11-02 US disclosed