SCHEMBL7863017

SCHEMBL7863017

COc1ccccc1C1CCC(CO)N1C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.47
CACNA1G O43497 1/20 0.44
CACNA1H O95180 1/20 0.44
CACNA1I Q9P0X4 1/20 0.44
FFAR2 O15552 6/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ACHE P22303 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PDE4B Q07343 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41

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
SCHEMBL7864157 0.90 HTR2C (0.46) HTR2CCACNA1GCACNA1HCACNA1IFFAR2
SCHEMBL9546620 0.83 HTR2C (0.57) HTR2CCACNA1GCACNA1HCACNA1ISMN1; SMN2
SCHEMBL18410564 0.83 HTR2C (0.57) HTR2CCACNA1GCACNA1HCACNA1ISMN1; SMN2
SCHEMBL28414267 0.77 HTR2C (0.52) HTR2CCACNA1GCACNA1HCACNA1ISMN1; SMN2
SCHEMBL9546475 0.77 SMN1; SMN2 (0.52) HTR2CCACNA1GCACNA1HCACNA1ISMN1; SMN2
SCHEMBL9546482 0.77 SMN1; SMN2 (0.52) HTR2CCACNA1GCACNA1HCACNA1ISMN1; SMN2
SCHEMBL7503270 0.75 MEN1 (0.64) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL18410769 0.75 HTR2C (0.50) HTR2CCACNA1GCACNA1HCACNA1ISMN1; SMN2
SCHEMBL18410486 0.75 HTR2C (0.57) HTR2CCACNA1GCACNA1HCACNA1ISMN1; SMN2
SCHEMBL19405280 0.74 PDE4B (0.64) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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-6300316-B1 ANTIBIOTICS AS BACTERICIDE PFIZER INC 2001-10-09 US disclosed
US-6025350-A C-4\" substituted macrolide antibiotics PFIZER INC. (US) 2000-02-15 US disclosed
EP-0895999-A1 C-4\" substituted macrolide antibiotics Pfizer Products Inc. (US) 1999-02-10 EP disclosed