SCHEMBL8639314

SCHEMBL8639314

O=C(c1ccccc1Sc1ccccc1)N1CCCC1CO

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
SPHK2 Q9NRA0 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HCRTR1 O43613 5/20 0.45
HCRTR2 O43614 5/20 0.45
FFAR1 O14842 1/20 0.45
SIRT1 Q96EB6 1/20 0.44
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
RIPK1 Q13546 1/20 0.43
PDK2 Q15119 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
RAB9A P51151 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
SCHEMBL8634326 0.82 PREP (0.51) LMNAMEN1KMT2AFFAR1SIRT1
SCHEMBL8636150 0.82 ABL1 (0.43) LMNASPHK2HCRTR1HCRTR2POLB
SCHEMBL20040339 0.79 HCRTR1 (0.67) LMNASPHK2MEN1KMT2AHCRTR1
SCHEMBL8633638 0.78 HCRTR1 (0.53) LMNASPHK2MEN1KMT2AHCRTR1
SCHEMBL8633642 0.78 HCRTR1 (0.53) LMNASPHK2MEN1KMT2AHCRTR1
SCHEMBL4480837 0.78 TP53 (0.60) LMNASPHK2MEN1KMT2AHCRTR1
SCHEMBL4480840 0.78 TP53 (0.60) LMNASPHK2MEN1KMT2AHCRTR1
SCHEMBL4931440 0.77 SPHK2 (0.64) SPHK2MEN1KMT2AHCRTR1HCRTR2
SCHEMBL11447207 0.77 SPHK2 (0.64) SPHK2MEN1KMT2AHCRTR1HCRTR2
SCHEMBL8632697 0.76 LMNA (0.57) LMNASPHK2MEN1KMT2AHCRTR1

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