SCHEMBL6890839

SCHEMBL6890839

CCCCCC[N+]1([O-])CCNC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 7/20 0.40
GNAO1 P09471 7/20 0.40
GNAI1 P63096 7/20 0.40
TSHR P16473 1/20 0.31
THRB P10828 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
SCHEMBL7061616 1.00 GNAI3 (0.40) GNAI3GNAO1GNAI1TSHRTHRB
SCHEMBL6561478 1.00 GNAI3 (0.40) GNAI3GNAO1GNAI1TSHRTHRB
SCHEMBL3661326 0.98 GNAI3 (0.38) GNAI3GNAO1GNAI1
SCHEMBL8512227 0.92 GNAI3 (0.32) GNAI3GNAO1GNAI1
SCHEMBL8160090 0.86 GNAO1 (0.43) GNAI3GNAO1GNAI1
SCHEMBL11597294 0.81
SCHEMBL11595655 0.78
SCHEMBL3513744 0.76
SCHEMBL11594967 0.76
SCHEMBL727413 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0743956-A4 PRETARGETING METHODS AND COMPOUNDS NEORX CORP (US) 1999-03-24 EP claimed
EP-0743956-A1 PRETARGETING METHODS AND COMPOUNDS NeoRx (US) 1996-11-27 EP claimed
EP-0906015-A4 LIVER RETENTION CLEARING AGENTS NEORX CORP (US) 2004-05-12 EP disclosed
EP-0914042-A4 CLUSTER CLEARING AGENTS NEORX CORP (US) 2000-10-25 EP disclosed
EP-0794788-A4 HEPATIC-DIRECTED COMPOUNDS AND REAGENTS FOR PREPARATION THEREOF NEORX CORP (US) 2000-05-24 EP disclosed
EP-0914042-A1 CLUSTER CLEARING AGENTS NEORX CORPORATION (US) 1999-05-12 EP disclosed
EP-0906015-A1 LIVER RETENTION CLEARING AGENTS NEORX CORPORATION (US) 1999-04-07 EP disclosed
EP-0743956-A4 PRETARGETING METHODS AND COMPOUNDS NEORX CORP (US) 1999-03-24 EP disclosed
WO-1997046098-A9 CLUSTER CLEARING AGENTS 1998-08-06 WO disclosed
WO-1997046099-A1 LIVER RETENTION CLEARING AGENTS NEORX CORPORATION (US) 1997-12-11 WO disclosed
WO-1997046098-A1 CLUSTER CLEARING AGENTS NEORX CORPORATION (US) 1997-12-11 WO disclosed
EP-0794788-A1 HEPATIC-DIRECTED COMPOUNDS AND REAGENTS FOR PREPARATION THEREOF NEORX CORPORATION (US) 1997-09-17 EP disclosed
EP-0743956-A1 PRETARGETING METHODS AND COMPOUNDS NeoRx (US) 1996-11-27 EP disclosed
WO-1996017613-A1 HEPATIC-DIRECTED COMPOUNDS AND REAGENTS FOR PREPARATION THEREOF NEORX CORPORATION (US) 1996-06-13 WO disclosed