SCHEMBL6688964

SCHEMBL6688964

COC1=CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.57
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
CYP2C19 P33261 1/20 0.49
TMEM97 Q5BJF2 5/20 0.47
SIGMAR1 Q99720 5/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PTGDR2 Q9Y5Y4 5/20 0.47
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTR1A P08908 1/20 0.45

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
SCHEMBL1967458 0.86 MEN1 (0.55) GRM5MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL11957019 0.84 GRM5 (0.57) GRM5MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL19046612 0.82 GRM5 (0.58) GRM5MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL4312452 0.82 GRM5 (0.51) GRM5MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL9180541 0.82 GRM5 (0.53) GRM5MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL20014800 0.82 GRM5 (0.50) GRM5MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL21384574 0.82 TDP1 (0.50) GRM5MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL7517190 0.82 ALDH1A1 (0.46) MEN1KMT2ASMN1; SMN2CYP2C19HTT
SCHEMBL17886619 0.82 GRM5 (0.55) GRM5MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL12240997 0.82 GRM5 (0.55) GRM5MEN1KMT2ANPSR1SMN1; SMN2

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-0941998-B1 3,6-ketal macrolide antibiotics PFIZER PROD INC (US) 2004-09-01 EP disclosed
US-6043226-A TREATING BACTERIAL, PARASITIC AND PROTOZOAL INFECTIONS PFIZER INC. (US) 2000-03-28 US disclosed
EP-0941998-A2 3,6-ketal and enol ether macrolide antibiotics Pfizer Products Inc. (US) 1999-09-15 EP disclosed