SCHEMBL5685658

SCHEMBL5685658

C[C@@H](c1ccccc1)N1CCC1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.47
KMT2A Q03164 1/20 0.47
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
OPRL1 P41146 1/20 0.45
CHRM2 P08172 3/20 0.43
CHRM4 P08173 3/20 0.43
CHRM5 P08912 3/20 0.43
CHRM1 P11229 3/20 0.43
CHRM3 P20309 3/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MC4R P32245 1/20 0.42
HPGD P15428 1/20 0.42
CCR5 P51681 1/20 0.42
HTR1A P08908 2/20 0.40
AGTR2 P50052 1/20 0.40
DPP4 P27487 1/20 0.40
DRD4 P21917 1/20 0.40

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
SCHEMBL5701978 1.00 CYP2D6 (0.47) CYP2D6KMT2AOPRM1OPRD1OPRK1
SCHEMBL5685648 1.00 CYP2D6 (0.47) CYP2D6KMT2AOPRM1OPRD1OPRK1
SCHEMBL7064462 1.00 CYP2D6 (0.47) CYP2D6KMT2AOPRM1OPRD1OPRK1
SCHEMBL5685799 1.00 CYP2D6 (0.47) CYP2D6KMT2AOPRM1OPRD1OPRK1
SCHEMBL5688789 1.00 CYP2D6 (0.47) CYP2D6KMT2AOPRM1OPRD1OPRK1
SCHEMBL5685795 1.00 CYP2D6 (0.47) CYP2D6KMT2AOPRM1OPRD1OPRK1
SCHEMBL8017580 1.00 CYP2D6 (0.47) CYP2D6KMT2AOPRM1OPRD1OPRK1
SCHEMBL5685802 1.00 CYP2D6 (0.47) CYP2D6KMT2AOPRM1OPRD1OPRK1
SCHEMBL7959886 0.90 KDM4E (0.47) CYP2D6KMT2ACHRM2CHRM4CHRM5
SCHEMBL7976128 0.90 KDM4E (0.47) CYP2D6KMT2ACHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1308519-B1 Process for improving optical purity of azetidine-2-carboxylic acid SUMITOMO CHEMICAL CO (JP) 2006-04-19 EP disclosed
EP-0827954-B1 Process for producing optically active azetidine-2-carboxylic acid SUMITOMO CHEMICAL CO (JP) 2003-06-04 EP disclosed
EP-1308519-A1 Process for improving optical purity of azetidine-2-carboxylic acid Sumitomo Chemical Company, Limited (JP) 2003-05-07 EP disclosed
EP-0855446-B1 Process for producing optically active azetidine-2-carboxylic acid derivative SUMITOMO CHEMICAL CO (JP) 2003-04-09 EP disclosed
US-6410279-B1 GENERATING PREFERENTIAL COMPOUND IN SOLUTION; OBTAIN N-SUBSTITUTED AZETIDINE-2-CARBOXYLIC ACID ESTER, INCUBATE WITH PREFERENTIAL ENZYME, RECOVER COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-25 US disclosed
US-6162621-A Process for producing optically active azetidine-2-carboxylic acid derivative SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2000-12-19 US disclosed
US-6114543-A Process for producing optically active azetidine-2-carboxylic acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-09-05 US disclosed
EP-0855446-A2 Process for producing optically active azetidine-2-carboxylic acid derivative SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-07-29 EP disclosed
EP-0827954-A1 Process for producing optically active azetidine-2-carboxylic acid SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-03-11 EP disclosed