SCHEMBL7772113

SCHEMBL7772113

O=C(Oc1cccc([N+](=O)[O-])c1)c1cccnc1N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
SIGMAR1 Q99720 3/20 0.41
DRD3 P35462 6/20 0.41
DRD2 P14416 4/20 0.41
HTR2A P28223 4/20 0.41
ADRA1A P35348 4/20 0.41
HRH1 P35367 4/20 0.41
OPRK1 P41145 4/20 0.41
SLC6A3 Q01959 4/20 0.41
ADORA3 P0DMS8 3/20 0.41
OPRD1 P41143 3/20 0.41
CACNA1F O60840 3/20 0.41

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
SCHEMBL6672587 0.90 LMNA (0.46) RAB9AMEN1KMT2ASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL6676863 0.89 LMNA (0.46) RAB9AMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL7771958 0.85 MAPT (0.46) RAB9AL3MBTL1LMNAMAPTSIGMAR1
SCHEMBL8862446 0.82 LMNA (0.46) RAB9AMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL7771967 0.82 SIGMAR1 (0.46) RAB9ASMN1; SMN2LMNAMAPTSIGMAR1
SCHEMBL7771965 0.81 DRD2 (0.52) RAB9ALMNAMAPTSIGMAR1DRD3
SCHEMBL7767918 0.81 LMNA (0.53) RAB9AMEN1KMT2ASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL7796036 0.80 LMNA (0.52) RAB9AMEN1KMT2ASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL7920769 0.80 LMNA (0.52) RAB9AMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL6677425 0.80 DRD2 (0.46) RAB9AMEN1KMT2ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5658910-A TREATING MENTAL DISORDERS PHARMACIA AB (SE) 1997-08-19 US claimed
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