SCHEMBL7593072

SCHEMBL7593072

NCCCCCCCCCCCC(N)OC=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.39
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA3 P07451 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
CA5A P35218 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA5B Q9Y2D0 2/20 0.35
DNM1 Q05193 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
BLM P54132 1/20 0.35
CPB2 Q96IY4 4/20 0.34
RNPEP Q9H4A4 1/20 0.33
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32

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
SCHEMBL27467443 1.00 GSR (0.39) GSRCA12CA1CA2CA3
SCHEMBL28194694 1.00 GSR (0.39) GSRCA12CA1CA2CA3
SCHEMBL28880358 0.98 GSR (0.40) GSRCA12CA1CA2CA3
SCHEMBL12386354 0.98 GSR (0.40) GSRCA12CA1CA2CA3
SCHEMBL12386352 0.98 GSR (0.40) GSRCA12CA1CA2CA3
SCHEMBL5868349 0.81
SCHEMBL323070 0.81 OPRM1 (0.43) LMNABLM
SCHEMBL5968272 0.81 OPRM1 (0.43) LMNABLM
SCHEMBL28838066 0.81 OPRM1 (0.43) LMNABLM
SCHEMBL28057452 0.79 OPRM1 (0.41) LMNABLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0754189-B1 RECEPTOR MODULATING AGENTS AND METHODS RELATING THERETO RECEPTAGEN CORP (US) 2002-10-09 EP disclosed
EP-1015475-A1 VITAMIN B 12? RECEPTOR MODULATING AGENTS AND METHODS RELATED THERETO RECEPTAGEN CORPORATION (US) 2000-07-05 EP disclosed
US-6083926-A AGENT COMPRISED OF VITAMIN B12 COVALENTLY COUPLED TO BIOTIN BY WATER-SOLUBLE LINKER THE UNIVERSITY OF WASHINGTON (US) 2000-07-04 US disclosed
US-5869465-A BINDING TO CELL SURFACE RECEPTORS AND AFFECTING THEIR TRAFFICKING PATHWAY FOR THE TREATMENT AND DIAGNOSIS OF DISORDERS IN WARM-BLOODED ANIMALS RECEPTAGEN CORPORATION (US) 1999-02-09 US disclosed
US-5840712-A TARGETS AND LINKERS RECEPTAGEN CORPORATION (US) 1998-11-24 US disclosed
US-5840880-A VITAMIN B12 DIMER RECEPTAGEN CORPORATION (US) 1998-11-24 US disclosed
US-5739287-A BOUND ALSO TO A RECEPTOR MODULATING AGENT TO IMPEDE CELL SURFACE RECEPTOR TRAFFICKING PATHWAYS BY INHIBITING THE RECYCLING OF RECEPTORS TO THE CELL SURFACE; ANTITUMOR AND -CARCINOGENIC AGENTS; LEUKEMIA UNIVERSITY OF WASHINGTON (US) 1998-04-14 US disclosed
WO-1997014711-A9 VITAMIN B12 RECEPTOR MODULATING AGENTS AND METHODS RELATED THERETO 1997-10-02 WO disclosed
WO-1997014711-A1 VITAMIN B12 RECEPTOR MODULATING AGENTS AND METHODS RELATED THERETO RECEPTAGEN CORPORATION (US) 1997-04-24 WO disclosed
EP-0754189-A1 RECEPTOR MODULATING AGENTS AND METHODS RELATING THERETO RECEPTAGEN CORPORATION (US) 1997-01-22 EP disclosed
WO-1995027723-A1 RECEPTOR MODULATING AGENTS AND METHODS RELATING THERETO RECEPTAGEN CORPORATION (US) 1995-10-19 WO disclosed