SCHEMBL8632697

SCHEMBL8632697

O=C(c1ccccc1Oc1ccccc1)N1CCCC1CO

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
SPHK2 Q9NRA0 1/20 0.55
TSHR P16473 7/20 0.54
ALDH1A1 P00352 3/20 0.52
GAA P10253 1/20 0.52
TP53 P04637 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HCRTR1 O43613 2/20 0.51
HCRTR2 O43614 2/20 0.51
SCN1A P35498 1/20 0.49
SCN2A Q99250 1/20 0.49
SCN3A Q9NY46 1/20 0.49
TRPV1 Q8NER1 1/20 0.48
POLB P06746 1/20 0.48
FFAR1 O14842 1/20 0.48

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
SCHEMBL8632693 1.00 LMNA (0.57) LMNASPHK2TSHRALDH1A1GAA
SCHEMBL6866556 0.86 LMNA (0.61) LMNATSHRTP53MEN1KMT2A
SCHEMBL6861666 0.86 LMNA (0.61) LMNATSHRTP53MEN1KMT2A
SCHEMBL6861673 0.86 LMNA (0.61) LMNATSHRTP53MEN1KMT2A
SCHEMBL8636082 0.82 TSHR (0.54) LMNATSHRALDH1A1GAATP53
SCHEMBL8632678 0.82 TSHR (0.54) LMNATSHRALDH1A1GAATP53
SCHEMBL7393837 0.82 ALDH1A1 (0.60) LMNATSHRALDH1A1GAATP53
SCHEMBL20040339 0.80 HCRTR1 (0.67) LMNASPHK2TSHRMEN1KMT2A
SCHEMBL8633642 0.79 HCRTR1 (0.53) LMNASPHK2GAATP53MEN1
SCHEMBL8633638 0.79 HCRTR1 (0.53) LMNASPHK2GAATP53MEN1

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-5847155-A Aromatic pyrrolidine amide prolyl endopeptidase inhibitors PFIZER INC (US) 1998-12-08 US disclosed
EP-0536163-A1 AROMATIC PYRROLIDINE AND THIAZOLIDINE AMIDES PFIZER INC. (US) 1993-04-14 EP disclosed
WO-1991018891-A1 AROMATIC PYRROLIDINE AND THIAZOLIDINE AMIDES PFIZER INC. (US) 1991-12-12 WO disclosed