SCHEMBL9303403

SCHEMBL9303403

CNCCCC1(c2ccccc2)CC(=O)NC(=O)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.43
SLC6A4 P31645 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ICMT O60725 1/20 0.38
BACE1 P56817 1/20 0.37
HTR2A P28223 2/20 0.37
HRH1 P35367 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTR1A P08908 1/20 0.37
CHRM5 P08912 1/20 0.37
ADRA2A P08913 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
Formic Acid SCHEMBL9303273 0.93 SLC6A2 (0.40) SLC6A2SLC6A4L3MBTL1MEN1KMT2A
SCHEMBL9303006 0.77 LMNA (0.37) SLC6A4MEN1KMT2AICMTBACE1
SCHEMBL9467170 0.75 TSHR (0.47) SLC6A2SLC6A4MEN1KMT2ABACE1
SCHEMBL9304202 0.73 SIGMAR1 (0.46) SIGMAR1
SCHEMBL9869620 0.72 SIGMAR1 (0.49) SLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL9633447 0.70 BACE1 (0.38) SLC6A2SLC6A4MEN1KMT2ABACE1
SCHEMBL9303707 0.69 SCN1A (0.38) SLC6A4CYP3A4SIGMAR1
SCHEMBL9303335 0.68 SIGMAR1 (0.45) KMT2ASIGMAR1
SCHEMBL9302750 0.66 DDB1 (0.37) SLC6A2SLC6A4BACE1TSHRHTR2C
SCHEMBL5213777 0.64 SLC6A2 (0.54) SLC6A2SLC6A4MEN1KMT2AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0505379-B1 MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LTD (GB) 1994-07-20 EP disclosed
US-5300516-A Muscarinic receptor antagonists PFIZER INC. (US) 1994-04-05 US disclosed
WO-1991009014-A1 MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 1991-06-27 WO disclosed