SCHEMBL6672587

SCHEMBL6672587

O=C(Oc1cccc(F)c1)c1cccnc1N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.46
DRD3 P35462 7/20 0.45
DRD2 P14416 5/20 0.45
SIGMAR1 Q99720 5/20 0.45
HTR2A P28223 5/20 0.44
ADRA1A P35348 5/20 0.44
HRH1 P35367 5/20 0.44
OPRK1 P41145 5/20 0.44
SLC6A3 Q01959 5/20 0.44
ADORA3 P0DMS8 4/20 0.44
OPRD1 P41143 4/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MLNR O43193 1/20 0.44
NR1I2 O75469 1/20 0.44
USP2 O75604 1/20 0.44
CYP1A2 P05177 1/20 0.44

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 SCHEMBL6676863 0.99 LMNA (0.46) LMNAMAPTDRD3DRD2SIGMAR1
SCHEMBL7772113 0.90 RAB9A (0.44) LMNAMAPTDRD3DRD2SIGMAR1
SCHEMBL8862446 0.87 LMNA (0.46) LMNAMAPTDRD3DRD2SIGMAR1
SCHEMBL6672744 0.86 DRD3 (0.46) LMNAMAPTDRD3DRD2SIGMAR1
SCHEMBL7771967 0.86 SIGMAR1 (0.46) LMNAMAPTDRD3DRD2SIGMAR1
Hydrochloric Acid SCHEMBL6674732 0.86 DRD3 (0.45) LMNAMAPTDRD3DRD2SIGMAR1
SCHEMBL7771965 0.86 DRD2 (0.52) LMNAMAPTDRD3DRD2SIGMAR1
SCHEMBL7767918 0.86 LMNA (0.53) LMNAMAPTDRD3DRD2SIGMAR1
Hydrochloric Acid SCHEMBL7796036 0.85 LMNA (0.52) LMNAMAPTDRD3DRD2SIGMAR1
Hydrochloric Acid SCHEMBL7920769 0.85 LMNA (0.52) LMNAMAPTDRD3DRD2SIGMAR1

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-1120410-B1 Nicotinic acid esters useful as CNS agents and having affinity for 5-HT receptors BIOVITRUM AB (SE) 2004-10-06 EP claimed
US-5658910-A TREATING MENTAL DISORDERS PHARMACIA AB (SE) 1997-08-19 US claimed
EP-1120410-B1 Nicotinic acid esters useful as CNS agents and having affinity for 5-HT receptors BIOVITRUM AB (SE) 2004-10-06 EP disclosed
EP-1120410-A1 Nicotinic acid esters useful as CNS agents and having affinity for 5-HT receptors Pharmacia AB (SE) 2001-08-01 EP disclosed
US-5658910-A TREATING MENTAL DISORDERS PHARMACIA AB (SE) 1997-08-19 US disclosed
EP-0673368-A1 NOVEL NICOTINIC ACID ESTERS Pharmacia & Upjohn Aktiebolag (SE) 1995-09-27 EP disclosed
WO-1994000434-A1 NOVEL NICOTINIC ACID ESTERS KABI PHARMACIA AB (SE) 1994-01-06 WO disclosed