SCHEMBL7366091

SCHEMBL7366091

O=C1CCCNC(Cc2ccccc2)C1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
PLG P00747 2/20 0.42
HDAC8 Q9BY41 2/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
SLC22A1 O15245 1/20 0.40
PRCP P42785 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GBA1 P04062 1/20 0.39
LTA4H P09960 2/20 0.38
CTSD P07339 1/20 0.38

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
SCHEMBL3068478 0.90 POLB (0.53) POLBPLGHDAC8DDB1CRBN
Succinic Acid SCHEMBL9425281 0.82 POLB (0.45) POLBPLGHDAC8DDB1CRBN
Succinic Acid SCHEMBL9425597 0.82 POLB (0.45) POLBPLGHDAC8DDB1CRBN
Succinic Acid SCHEMBL9425252 0.82 POLB (0.45) POLBPLGHDAC8DDB1CRBN
Succinic Acid SCHEMBL9426818 0.81 POLB (0.44) POLBPLGHDAC8DDB1CRBN
Tert-Butyl Formate SCHEMBL27853000 0.77 POLB (0.40) POLBPLGHDAC8DDB1CRBN
SCHEMBL7365623 0.75 BRD4 (0.35) POLB
SCHEMBL167189 0.75 POLB (0.89) POLBGBA1LTA4H
SCHEMBL167190 0.75 POLB (0.89) POLBGBA1LTA4H
SCHEMBL1860551 0.75 POLB (0.89) POLBGBA1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2882739-A1 NEW ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland UC (IE) 2015-06-17 EP disclosed
EP-2742044-A1 ANTIBACTERIAL HOMOPIPERIDINYL SUBSTITUTED 3,4 DIHYDRO 1H [1,8]NAPHTHYRIDINONES Janssen R&D Ireland (IE) 2014-06-18 EP disclosed
WO-2014023815-A1 NEW ANTIBACTERIAL COMPOUNDS JANSSEN R&D IRELAND (IE) 2014-02-13 WO disclosed
WO-2013021051-A1 ANTIBACTERIAL HOMOPIPERIDINYL SUBSTITUTED 3,4 DIHYDRO 1H [1,8]NAPHTHYRIDINONES JANSSEN R&D IRELAND (IE) 2013-02-14 WO disclosed
EP-1250337-A1 SUBSTITUTED HOMOPIPERIDINYL BENZIMIDAZOLE ANALOGUES AS FUNDIC RELAXANTS Janssen Pharmaceutica N.V. (BE) 2002-10-23 EP disclosed
WO-2001046189-A1 SUBSTITUTED HOMOPIPERIDINYL BENZIMIDAZOLE ANALOGUES AS FUNDIC RELAXANTS JANSSEN PHARMACEUTICA N.V. (BE) 2001-06-28 WO disclosed
WO-1997048702-A1 BENZAZEPINE DERIVATIVES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR THEIR PRODUCTION DR. KARL THOMAE GMBH (DE) 1997-12-24 WO disclosed