SCHEMBL6645288

SCHEMBL6645288

O=C(O)NCCCC1CC(c2cccc([N+](=O)[O-])c2)=CCN1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 7/20 0.40
HPGD P15428 2/20 0.40
PNMT P11086 2/20 0.40
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6645604 0.83 PNMT (0.41) SMN1; SMN2NPC1MAPTALDH1A1PNMT
SCHEMBL4790042 0.74 PNMT (0.48) SMN1; SMN2NPC1MAPTPNMTPOLB
SCHEMBL5661842 0.71 POLB (0.53) SMN1; SMN2MAPTPOLBLMNA
SCHEMBL5661850 0.71 POLB (0.53) SMN1; SMN2MAPTPOLBLMNA
SCHEMBL9712905 0.71 MAPT (0.62) SMN1; SMN2NPC1RAB9AMAPTPOLB
SCHEMBL7370935 0.71 ATM (0.36) SMN1; SMN2MAPTALDH1A1LMNATDP1
SCHEMBL7441916 0.67 HTR1A (0.52)
SCHEMBL2828269 0.67 ALDH1A1 (0.67) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL2828273 0.67 ALDH1A1 (0.67) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL3029851 0.66 MEN1 (0.56) MAPTALDH1A1HPGDLMNAMEN1

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-1299362-A4 SELECTIVE MELANIN CONCENTRATING HORMONE-1 (MCH1) RECEPTOR ANTAGONISTS AND USES THEREOF SYNAPTIC PHARMA CORP (US) 2004-11-03 EP disclosed
WO-2004064774-A2 DNA ENCODING A HUMAN MELANIN CONCENTRATING HORMONE RECEPTOR (MCH1) AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2004-08-05 WO disclosed
EP-1299362-A1 SELECTIVE MELANIN CONCENTRATING HORMONE-1 (MCH1) RECEPTOR ANTAGONISTS AND USES THEREOF Synaptic Pharmaceutical Corporation (US) 2003-04-09 EP disclosed
EP-1246847-A2 DNA ENCODING A HUMAN MELANIN CONCENTRATING HORMONE RECEPTOR (MCH1) AND USES THEREOF Synaptic Pharmaceutical Corporation (US) 2002-10-09 EP disclosed
WO-2002006245-A1 SELECTIVE MELANIN CONCENTRATING HORMONE-1 (MCH1) RECEPTOR ANTAGONISTS AND USES THEREOF SYNAPTIC PHARMARCEUTICAL CORPORATION (US) 2002-01-24 WO disclosed
WO-2002002744-A2 DNA ENCODING A HUMAN MELANIN CONCENTRATING HORMONE RECEPTOR (MCH1) AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2002-01-10 WO disclosed