SCHEMBL16976105

SCHEMBL16976105

CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.61
▸ MAOB P27338 1/20 0.56
▸ KDM5A P29375 1/20 0.56
▸ KDM1B Q8NB78 1/20 0.56
▸ TFPI P10646 6/20 0.56
▸ NPY2R P49146 7/20 0.55
▸ NPY4R P50391 7/20 0.55
▸ NPY5R Q15761 7/20 0.55
▸ NPY1R P25929 5/20 0.55
▸ RAMP3 O60896 1/20 0.55
▸ CALCR P30988 1/20 0.55
▸ KEAP1 Q14145 1/20 0.54

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
SCHEMBL14479329 1.00 KDM1A (0.61) KDM1AMAOBKDM5AKDM1BTFPI
SCHEMBL14479342 1.00 KDM1A (0.61) KDM1AMAOBKDM5AKDM1BTFPI
SCHEMBL14479444 0.97 KDM1A (0.62) KDM1AMAOBKDM5AKDM1BTFPI
SCHEMBL14479411 0.97 KDM1A (0.60) KDM1AMAOBKDM5AKDM1BTFPI
SCHEMBL14479427 0.96 KDM1A (0.60) KDM1AMAOBKDM5AKDM1BTFPI
SCHEMBL14479371 0.95 KDM1A (0.60) KDM1AMAOBKDM5AKDM1BTFPI
SCHEMBL16976076 0.95 KDM1A (0.62) KDM1AMAOBKDM5AKDM1BTFPI
SCHEMBL14479418 0.94 KDM1A (0.61) KDM1AMAOBKDM5AKDM1BTFPI
SCHEMBL14479336 0.93 KDM1A (0.61) KDM1AMAOBKDM5AKDM1BTFPI
SCHEMBL16976064 0.93 KDM1A (0.62) KDM1AMAOBKDM5AKDM1BTFPI

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096646-B2 CXCR4 receptor compounds ANCHOR THERAPEUTICS, INC. (US) 2015-08-04 — — US disclosed
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