SCHEMBL8633642

SCHEMBL8633642

O=C(c1ccccc1)c1ccccc1C(=O)N1CCCC1CO

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.53
HCRTR2 O43614 6/20 0.53
SPHK2 Q9NRA0 1/20 0.51
LMNA P02545 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PDK2 Q15119 1/20 0.47
FFAR1 O14842 1/20 0.46
TP53 P04637 1/20 0.45
RIPK1 Q13546 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
SCHEMBL8633638 1.00 HCRTR1 (0.53) HCRTR1HCRTR2SPHK2LMNAMEN1
SCHEMBL4931440 0.86 SPHK2 (0.64) HCRTR1HCRTR2SPHK2MEN1KMT2A
SCHEMBL11447207 0.86 SPHK2 (0.64) HCRTR1HCRTR2SPHK2MEN1KMT2A
SCHEMBL20040339 0.82 HCRTR1 (0.67) HCRTR1HCRTR2SPHK2LMNAMEN1
SCHEMBL17600741 0.81 SPHK2 (0.59) HCRTR1HCRTR2SPHK2LMNAMEN1
SCHEMBL17600738 0.81 SPHK2 (0.59) HCRTR1HCRTR2SPHK2LMNAMEN1
SCHEMBL8633260 0.81 PREP (0.54) HCRTR1HCRTR2GAASMN1; SMN2FFAR1
SCHEMBL4480837 0.81 TP53 (0.60) HCRTR1HCRTR2SPHK2LMNAMEN1
SCHEMBL4480840 0.81 TP53 (0.60) HCRTR1HCRTR2SPHK2LMNAMEN1
SCHEMBL8632697 0.79 LMNA (0.57) HCRTR1HCRTR2SPHK2LMNAMEN1

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 2 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
WO-1991018891-A1 AROMATIC PYRROLIDINE AND THIAZOLIDINE AMIDES PFIZER INC. (US) 1991-12-12 WO disclosed