SCHEMBL6645604

SCHEMBL6645604

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 3/20 0.41
SSTR1 P30872 1/20 0.39
SSTR2 P30874 1/20 0.39
SSTR3 P32745 1/20 0.39
SSTR5 P35346 1/20 0.39
LMNA P02545 4/20 0.38
MAPT P10636 2/20 0.38
IDO1 P14902 1/20 0.36
TSHR P16473 1/20 0.36
PGR P06401 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
PKM P14618 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL6645288 0.83 SMN1; SMN2 (0.43) PNMTLMNAMAPTMEN1NPC1
SCHEMBL4790042 0.79 PNMT (0.48) PNMTLMNAMAPTIDO1TSHR
Hydrochloric Acid SCHEMBL11182448 0.78 TAAR1 (0.38)
SCHEMBL4789895 0.68 HTR2C (0.57) LMNAMAPTTSHRNPC1SMN1; SMN2
SCHEMBL5662012 0.67 SIGMAR1 (0.42) SSTR1SSTR2SSTR3SSTR5POLB
SCHEMBL14810477 0.67 PNMT (0.50) PNMTLMNAMAPTKMT2AALDH1A1
SCHEMBL9484185 0.66 TSHR (0.55) LMNAMAPTIDO1TSHRPGR
SCHEMBL6738366 0.65 TSHR (0.76) LMNAMAPTIDO1TSHRPGR
SCHEMBL6648243 0.64 SIGMAR1 (0.36)
SCHEMBL5298724 0.64 SSTR1 (0.51) SSTR1SSTR2SSTR3SSTR5LMNA

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