SCHEMBL2488948

SCHEMBL2488948

CN(C)CCCOc1cc(-c2nc(C(=O)NC3(C(=O)O)C4CC5CC(C4)CC3C5)ccc2-c2ccccc2Cl)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 5/20 0.40
NTSR2 O95665 2/20 0.40
SLC6A9 P48067 3/20 0.36
FPR3 P25089 1/20 0.36
GPR183 P32249 1/20 0.36
SORT1 Q99523 1/20 0.36
CNR2 P34972 3/20 0.36
PAICS P22234 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ATM Q13315 2/20 0.35
CTSA P10619 2/20 0.34
CHEK1 O14757 1/20 0.34
WEE1 P30291 1/20 0.34

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
Hydrochloric Acid SCHEMBL544195 0.99 NTSR1 (0.41) NTSR1NTSR2SLC6A9FPR3GPR183
SCHEMBL16493619 0.94 NTSR1 (0.41) NTSR1NTSR2FPR3GPR183SORT1
Hydrochloric Acid SCHEMBL544132 0.94 NTSR1 (0.40) NTSR1NTSR2SLC6A9FPR3GPR183
SCHEMBL913663 0.94 NTSR1 (0.36) NTSR1NTSR2SLC6A9CNR2PAICS
Hydrochloric Acid SCHEMBL544553 0.93 NTSR1 (0.42) NTSR1NTSR2FPR3GPR183SORT1
Hydrochloric Acid SCHEMBL544987 0.93 NTSR1 (0.40) NTSR1NTSR2FPR3GPR183SORT1
Hydrochloric Acid SCHEMBL544901 0.93 NTSR1 (0.45) NTSR1NTSR2FPR3GPR183SORT1
Hydrochloric Acid SCHEMBL544420 0.93 NTSR1 (0.40) NTSR1NTSR2FPR3GPR183SORT1
Hydrochloric Acid SCHEMBL544785 0.91 NTSR1 (0.39) NTSR1NTSR2FPR3GPR183SORT1
Hydrochloric Acid SCHEMBL543957 0.90 NTSR1 (0.40) NTSR1NTSR2FPR3GPR183SORT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2238110-B1 5.6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS ANTAGONISTS FOR UROTENSINE II RECEPTORS SANOFI SA (FR) 2011-10-26 EP claimed
EP-2238110-A1 5.6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS ANTAGONISTS FOR UROTENSINE II RECEPTORS Sanofi-Aventis (FR) 2010-10-13 EP claimed
WO-2009115665-A1 5.6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS ANTAGONISTS FOR UROTENSINE II RECEPTORS SANOFI-AVENTIS (FR) 2009-09-24 WO claimed
EP-2238110-B1 5.6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS ANTAGONISTS FOR UROTENSINE II RECEPTORS SANOFI SA (FR) 2011-10-26 EP disclosed
EP-2238110-A1 5.6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS ANTAGONISTS FOR UROTENSINE II RECEPTORS Sanofi-Aventis (FR) 2010-10-13 EP disclosed
WO-2009115665-A1 5.6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS ANTAGONISTS FOR UROTENSINE II RECEPTORS SANOFI-AVENTIS (FR) 2009-09-24 WO disclosed