SCHEMBL10364816

SCHEMBL10364816

CCOC(=O)[C@@H](NC(C)CCc1ccccc1)C(O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 4/20 0.46
ADRA1A P35348 2/20 0.46
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR2A P28223 1/20 0.46
OPRM1 P35372 1/20 0.46
DRD3 P35462 1/20 0.46
OPRK1 P41145 1/20 0.46
HTR2B P41595 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KCNH2 Q12809 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL10364366 0.92 ADRA1A (0.47) NPSR1SMN1; SMN2LMNAADRA1AADRB2
SCHEMBL10362923 0.90 ADRA1A (0.49) NPSR1SMN1; SMN2LMNAADRA1AADRB2
SCHEMBL10363913 0.88 ADRA1A (0.47) NPSR1SMN1; SMN2LMNAADRA1AADRB2
SCHEMBL10362983 0.87 ALDH1A1 (0.48) NPSR1SMN1; SMN2LMNAADRA1AADRB2
SCHEMBL10363021 0.86 ADRA1A (0.46) NPSR1SMN1; SMN2LMNAADRA1AADRB2
SCHEMBL10362823 0.84 ADRA1A (0.43) NPSR1SMN1; SMN2LMNAADRA1AADRB2
SCHEMBL10363063 0.84 ADRB2 (0.49) SMN1; SMN2LMNAADRA1AADRB2ADRB1
SCHEMBL10364688 0.80 ADRA1A (0.43) NPSR1SMN1; SMN2LMNAADRA1AADRB2
SCHEMBL10364481 0.80 ADRA1A (0.49) NPSR1SMN1; SMN2LMNAADRA1AADRB2
SCHEMBL10362958 0.79 HIF1A (0.48) ADRA1AHTR1AADRA2ASLC6A2OPRM1

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-0185814-B1 PHENYLSERINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1990-08-29 EP disclosed
US-4695580-A Phenylserine derivatives and processes for preparing the same SUMITOMO PHARMACEUTICALS COMPANY, LTD. (JP) 1987-09-22 US disclosed
EP-0185814-A2 Phenylserine derivatives and processes for their preparation SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1986-07-02 EP disclosed