SCHEMBL11147376

SCHEMBL11147376

N#CC1CN1Cc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.51
CNR2 P34972 1/20 0.45
LTA4H P09960 2/20 0.44
SIGMAR1 Q99720 1/20 0.43
S1PR5 Q9H228 1/20 0.40
MC4R P32245 1/20 0.39
HRH2 P25021 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
FAAH O00519 1/20 0.39
S1PR1 P21453 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL9677809 0.85 MAPT (0.44) SIGMAR1
SCHEMBL11148022 0.83 NAAA (0.47) NAAASIGMAR1FAAHMEN1KMT2A
SCHEMBL11150214 0.76 DPP4 (0.41) NAAASIGMAR1S1PR5S1PR1MEN1
SCHEMBL11147047 0.76 ESR1 (0.36) SIGMAR1MEN1KMT2A
SCHEMBL11145753 0.76 CYP19A1 (0.47) SIGMAR1
SCHEMBL11156844 0.72 LTA4H (0.46) LTA4HSIGMAR1
SCHEMBL5426458 0.71 SIGMAR1 (0.52) SIGMAR1MC4R
SCHEMBL3882752 0.70 S1PR5 (0.56) CNR2LTA4HS1PR5HRH3FAAH
SCHEMBL11146404 0.70 KDM4E (0.46) SIGMAR1MEN1KMT2A
SCHEMBL15709181 0.70 SIGMAR1 (0.55) SIGMAR1MC4R

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
US-4410532-A N-Substituted aziridine-2-carboxylic acid derivatives and their immuno-stimulation compositions and methods BOEHRINGER MANNHEIM GMBH (DE) 1983-10-18 US disclosed
US-4409236-A N-Substituted aziridine-2-carboxylic acid derivatives and immuno-stimulation composition and method BOEHRINGER MANNHEIM GMBH (DE) 1983-10-11 US disclosed
US-4321194-A N-Substituted aziridine-2-carboxylic acid derivatives for immuno stimulation BOEHRINGER MANNHEIM GMBH (DE) 1982-03-23 US disclosed