SCHEMBL5737566

SCHEMBL5737566

NC(=O)C1CCCN1C(=O)NCc1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.55
POLB P06746 1/20 0.54
MC4R P32245 2/20 0.52
MC1R Q01726 2/20 0.52
MC3R P41968 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
DPP4 P27487 1/20 0.51
F2 P00734 1/20 0.51
PREP P48147 1/20 0.49
ALDH1A1 P00352 3/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
PKM P14618 1/20 0.49
CYP2C19 P33261 1/20 0.49
FKBP1A P62942 2/20 0.48
BCHE P06276 1/20 0.47
MTNR1A P48039 1/20 0.46

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
SCHEMBL3681344 0.89 POLB (0.58) P2RX7POLBMC4RMC1RMC3R
SCHEMBL3572040 0.82 POLB (0.70) P2RX7POLBMEN1KMT2AF2
SCHEMBL3577905 0.81 P2RX7 (0.55) P2RX7POLBMC4RMC1RMC3R
SCHEMBL26428548 0.80 DPP4 (0.52) MEN1KMT2ADPP4F2PREP
SCHEMBL3576705 0.80 POLB (0.58) P2RX7POLBMC4RMC1RMC3R
SCHEMBL3573621 0.79 FKBP1A (0.68) POLBMEN1KMT2AF2ALDH1A1
SCHEMBL25592921 0.79 CYP3A4 (0.66) P2RX7POLBMEN1KMT2AF2
SCHEMBL25592977 0.77 MEN1 (0.65) P2RX7POLBMEN1KMT2AF2
SCHEMBL26425956 0.77 DPP4 (0.48) MEN1KMT2ADPP4PREPMTNR1A
SCHEMBL3574503 0.75 POLB (0.48) P2RX7POLBMC4RMC1RMC3R

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
EP-1268419-B1 PYRROLIDINE DERIVATIVES USEFUL AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS (AN) 2006-06-21 EP disclosed
EP-1268418-B1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS (AN) 2006-06-14 EP disclosed