SCHEMBL8636150

SCHEMBL8636150

O=C(c1ccccc1Sc1ccccn1)N1CCCC1CO

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
LMNA P02545 1/20 0.42
SPHK2 Q9NRA0 1/20 0.42
HCRTR1 O43613 6/20 0.42
HCRTR2 O43614 6/20 0.42
TRPV1 Q8NER1 2/20 0.42
CYP3A4 P08684 1/20 0.41
RIPK1 Q13546 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 1/20 0.39
NTRK1 P04629 2/20 0.39
PDK2 Q15119 1/20 0.39

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
SCHEMBL8635649 0.84 PREP (0.45) LMNAHCRTR1HCRTR2POLB
SCHEMBL8639314 0.82 LMNA (0.46) LMNASPHK2HCRTR1HCRTR2RIPK1
SCHEMBL17600702 0.80 L3MBTL1 (0.53) ABL1RIN1SPHK2CYP3A4RIPK1
SCHEMBL17600703 0.80 L3MBTL1 (0.53) ABL1RIN1SPHK2CYP3A4RIPK1
SCHEMBL6370221 0.77 CHRNA7 (0.43) LMNAHCRTR2
SCHEMBL31245524 0.74 HCRTR2 (0.49) ABL1RIN1LMNAHCRTR1HCRTR2
SCHEMBL21958017 0.74 HCRTR2 (0.49) ABL1RIN1LMNAHCRTR1HCRTR2
SCHEMBL21958015 0.74 HCRTR2 (0.49) ABL1RIN1LMNAHCRTR1HCRTR2
SCHEMBL4480837 0.73 TP53 (0.60) LMNASPHK2HCRTR1HCRTR2POLB
SCHEMBL4480840 0.73 TP53 (0.60) LMNASPHK2HCRTR1HCRTR2POLB

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