SCHEMBL11146489

SCHEMBL11146489

CC(c1ccccc1)N1CC1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
CHRM2 P08172 3/20 0.46
CHRM4 P08173 3/20 0.46
CHRM5 P08912 3/20 0.46
CHRM1 P11229 3/20 0.46
CHRM3 P20309 3/20 0.46
ALOX5 P09917 1/20 0.45
CYP2D6 P10635 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.41
XIAP P98170 1/20 0.39
CCR5 P51681 1/20 0.39
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL5011861 1.00 KMT2A (0.47) KMT2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL5379789 0.86 KMT2A (0.53) KMT2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL5379742 0.86 KMT2A (0.53) KMT2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL5379214 0.86 KMT2A (0.53) KMT2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL295762 0.86 KMT2A (0.53) KMT2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL5385064 0.86 KMT2A (0.53) KMT2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL31655442 0.85 CHRM2 (0.43) KMT2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL12151312 0.85 CHRM2 (0.50) KMT2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL12087990 0.85 CHRM2 (0.50) KMT2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL7313734 0.81 KMT2A (0.49) KMT2ACHRM2CHRM4CHRM5CHRM1

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