SCHEMBL4071842

SCHEMBL4071842

NCCCCCC(OP(=O)(O)O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRM P19623 3/20 0.59
▸ SMS P52788 1/20 0.59
▸ P2RY2 P41231 4/20 0.58
▸ P2RY1 P47900 4/20 0.58
▸ SRC P12931 2/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ DNPH1 O43598 1/20 0.58
▸ PRKAB2 O43741 1/20 0.58
▸ TRPM2 O94759 1/20 0.58
▸ LDHA P00338 1/20 0.58
▸ ADRB2 P07550 1/20 0.58
▸ FBP1 P09467 1/20 0.58
▸ ADORA1 P30542 1/20 0.58
▸ PRKAG1 P54619 1/20 0.58
▸ PRKAA2 P54646 1/20 0.58
▸ PDE4D Q08499 1/20 0.58
▸ KCNH2 Q12809 1/20 0.58
▸ PRKAA1 Q13131 1/20 0.58
▸ PDE3A Q14432 1/20 0.58
▸ TAS1R3 Q7RTX0 1/20 0.58

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
SCHEMBL5418087 0.95 SRM (0.57) SRMSMSP2RY2P2RY1SRC
SCHEMBL230821 0.91 EHMT1 (0.63) P2RY2P2RY1SRCSMN1; SMN2DNPH1
SCHEMBL30211841 0.90 P2RY2 (0.59) P2RY2P2RY1SRCSMN1; SMN2DNPH1
SCHEMBL29126399 0.90 P2RY2 (0.59) P2RY2P2RY1SRCSMN1; SMN2DNPH1
SCHEMBL8385440 0.89 SRM (0.62) SRMSMSSMN1; SMN2ADORA1NNMT
Hydrochloric Acid SCHEMBL30211837 0.89 P2RY2 (0.58) P2RY2P2RY1SRCSMN1; SMN2DNPH1
Hydrochloric Acid SCHEMBL29126408 0.89 P2RY2 (0.58) P2RY2P2RY1SRCSMN1; SMN2DNPH1
SCHEMBL6826790 0.84 SRM (0.59) SRMSMSSMN1; SMN2ADORA1
SCHEMBL8440946 0.84 P2RY2 (0.60) P2RY2P2RY1SRCSMN1; SMN2P2RX1
SCHEMBL756245 0.83 P2RY2 (0.64) P2RY2P2RY1SRCSMN1; SMN2DNPH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090175981-A1 COMPOSITIONS, METHODS AND USES FOR A NOVEL FAMILY OF PEPTIDES THE TEXAS A&M UNIVERSITY SYSTEM (US) 2009-07-09 — — US disclosed
US-7498404-B2 Compositions, methods and uses for a novel family of peptides THE TEXAS A&M UNIVERSITY SYSTEM (US) 2009-03-03 — — US disclosed
US-7235651-B2 Genes and proteins involved in the biosynthesis of lipopeptides CUBIST PHARMACEUTICALS, INC. (US) 2007-06-26 — — US disclosed
US-20060228398-A1 Compositions, methods and uses for a novel family of peptides THE TEXAS A&M UNIVERSITY SYSTEM (US) 2006-10-12 — — US disclosed
US-20040033581-A1 Dual condensation/epimerization domain in non-ribosomal peptide synthetase systems ECOPIA BIOSCIENCES, INC. (CA) 2004-02-19 — — US disclosed
US-20030211567-A1 Compositions, methods and systems for discovery of lipopeptides ECOPIA BIOSCIENCES, INC. 2003-11-13 — — US disclosed
WO-2003089641-A2 DUAL CONDENSATION/EPIMERIZATION DOMAIN IN NON-RIBOSOMAL PEPTIDE SYNTHETASE SYSTEMS ECOPIA BIOSCIENCES INC. (CA) 2003-10-30 — — WO disclosed
US-20030198981-A1 Genes and proteins involved in the biosynthesis of lipopeptides ECOPIA BIOSCIENCES, INC. 2003-10-23 — — US disclosed
EP-0994943-A2 METHOD OF ALTERING THE DOMAINS OF CYCLOSPORIN SYNTHETASE TO GIVE A MODIFIED CYCLOSPORIN SYNTHETASE BIOCHEMIE GESELLSCHAFT M.B.H. (AT) 2000-04-26 — — EP disclosed
WO-1999002659-A2 METHOD OF ALTERING THE DOMAINS OF CYCLOSPORIN SYNTHETASE TO GIVE A MODIFIED CYCLOSPORIN SYNTHETASE BIOCHEMIE GESELLSCHAFT M.B.H. (AT) 1999-01-21 — — WO disclosed
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