SCHEMBL7064427

SCHEMBL7064427

CC(OC(=O)C1CCN1C(C)c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.42
GRIN2B Q13224 1/20 0.41
CHRM2 P08172 3/20 0.41
CHRM4 P08173 3/20 0.41
CHRM5 P08912 3/20 0.41
CHRM1 P11229 3/20 0.41
CHRM3 P20309 3/20 0.41
CYP2D6 P10635 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
MAPKAPK2 P49137 1/20 0.39
HTR1A P08908 2/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.38
CCR5 P51681 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RECQL P46063 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
SCHEMBL7066526 0.94 OPRM1 (0.41) HCAR2GRIN2BCHRM2CHRM4CHRM5
SCHEMBL7067276 0.93 OPRM1 (0.43) GRIN2BOPRM1OPRD1OPRK1OPRL1
SCHEMBL7065732 0.92 OPRM1 (0.46) OPRM1OPRD1OPRK1OPRL1MAPKAPK2
SCHEMBL7066810 0.90 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7060888 0.86 TSHR (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2772366 0.86 TSHR (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2773433 0.86 TSHR (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7064464 0.86 TSHR (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2772125 0.86 TSHR (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7068092 0.84 OPRM1 (0.42) HCAR2GRIN2BOPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0827954-B1 Process for producing optically active azetidine-2-carboxylic acid SUMITOMO CHEMICAL CO (JP) 2003-06-04 EP disclosed
US-6114543-A Process for producing optically active azetidine-2-carboxylic acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-09-05 US disclosed
US-5880291-A Process for producing optically active azetidine-2-carboxylic acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-03-09 US disclosed
EP-0827954-A1 Process for producing optically active azetidine-2-carboxylic acid SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-03-11 EP disclosed