SCHEMBL9820897

SCHEMBL9820897

CC(C)OC1CCC(=O)N1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 11/20 0.47
HCRTR1 O43613 9/20 0.47
ALDH1A1 P00352 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 1/20 0.42
MDM2 Q00987 1/20 0.42
CAPN1 P07384 1/20 0.41
P2RX7 Q99572 1/20 0.41
EHMT2 Q96KQ7 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
SCHEMBL27091869 0.84 HCRTR2 (0.53) HCRTR2HCRTR1MEN1KMT2ATP53
SCHEMBL9820787 0.79 HCRTR2 (0.46) HCRTR2HCRTR1ALDH1A1MEN1KMT2A
SCHEMBL24434648 0.78 TP53 (0.50) HCRTR2HCRTR1TP53MDM2EHMT2
SCHEMBL9821007 0.77 HCRTR2 (0.44) HCRTR2HCRTR1ALDH1A1MEN1KMT2A
SCHEMBL288652 0.76 P2RX7 (0.56) HCRTR2HCRTR1ALDH1A1CYP2D6CYP2C9
SCHEMBL289574 0.76 P2RX7 (0.56) HCRTR2HCRTR1ALDH1A1CYP2D6CYP2C9
SCHEMBL288651 0.76 P2RX7 (0.56) HCRTR2HCRTR1ALDH1A1CYP2D6CYP2C9
SCHEMBL9820847 0.76 MEN1 (0.45) HCRTR2HCRTR1ALDH1A1MEN1KMT2A
SCHEMBL7407552 0.75 HCRTR2 (0.50) HCRTR2HCRTR1MEN1KMT2ATP53
SCHEMBL2265479 0.75 HCRTR2 (0.50) HCRTR2HCRTR1MEN1KMT2ATP53

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
EP-0296978-B1 1-BENZYL 2-OXO 5-ALKOXY PYRROLIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, COMPOSITIONS CONTAINING THEM AND THEIR USE IN MEDICINES ROUSSEL-UCLAF (FR) 1991-09-11 EP disclosed
US-4882350-A TREATMENT OF INTELLECTUAL OR NERVOUS ASTHENIAS, MEMORY FAILURES ROUSSEL UCLAF (FR) 1989-11-21 US disclosed
EP-0296978-A2 1-Benzyl 2-oxo 5-alkoxy pyrrolidine derivatives, process for their preparation, compositions containing them and their use in medicines ROUSSEL-UCLAF (FR) 1988-12-28 EP disclosed