SCHEMBL8669488

SCHEMBL8669488

O=C(O)CNC(=O)Nc1cccc(C(=O)OCc2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.69
MAPT P10636 4/20 0.54
THRB P10828 1/20 0.54
KMT2A Q03164 4/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A3 Q01959 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
PPIA P62937 2/20 0.52
NAMPT P43490 1/20 0.51
HTT P42858 1/20 0.51
CASR P41180 1/20 0.50
NPC1 O15118 3/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
MGLL Q99685 1/20 0.49
ALDH1A1 P00352 3/20 0.48
HPGD P15428 1/20 0.48
GAA P10253 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL20442339 0.88 RAB9A (0.78) RAB9AMAPTKMT2ASLC6A2SLC6A3
SCHEMBL8130235 0.86 RAB9A (0.67) RAB9AMAPTKMT2ASLC6A2SLC6A3
SCHEMBL8683968 0.85 NAMPT (0.65) RAB9AMAPTTHRBKMT2ANAMPT
SCHEMBL8686196 0.83 CASR (0.65) RAB9AMAPTKMT2ACASRNPC1
SCHEMBL27471805 0.82 RAB9A (0.76) RAB9AMAPTKMT2ASLC6A2SLC6A3
SCHEMBL7610708 0.81 NAMPT (0.47) RAB9AMAPTTHRBKMT2ANAMPT
SCHEMBL8683973 0.81 RAB9A (0.75) RAB9AMAPTTHRBKMT2ASLC6A2
Hydrochloric Acid SCHEMBL27455337 0.81 RAB9A (0.74) RAB9AMAPTKMT2ASLC6A2SLC6A3
SCHEMBL8870336 0.81 NAMPT (0.52) RAB9AMAPTTHRBKMT2ANAMPT
SCHEMBL7610643 0.80 RAB9A (0.58) RAB9AMAPTTHRBKMT2ASLC6A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5716936-A Pyrrolidine derivatives for the treatment of cholecystokinine and gastrine-related disorders RHONE-POULENC RORER S.A. (FR) 1998-02-10 US disclosed
US-5707991-A TREATMENT OF NERVOUS SYSTEM DISORDERS, PARKINSON'S DISEASE RHONE-POULENC RORER S.A. (FR) 1998-01-13 US disclosed
US-5624939-A N-acyl pyrrolidines and drugs for the treatment or prevention of cholecystokinin and gastrin-related disorders RHONE-POULENC RORER, S.A. (FR) 1997-04-29 US disclosed
US-5610144-A CHOLECYSTOKININ OR GASTRIN ANTAGONISTS; NERVOUS SYSTEM AND GASTROINTESTINAL DISORDERS RHONE-POULENC RORER S.A. (FR) 1997-03-11 US disclosed