SCHEMBL9621854

SCHEMBL9621854

CS(=O)(=O)OCC1CCC(=O)N1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 11/20 0.45
HCRTR1 O43613 9/20 0.45
ALDH1A1 P00352 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
TP53 P04637 1/20 0.40
MDM2 Q00987 1/20 0.40
CTSL P07711 1/20 0.40
P2RX7 Q99572 1/20 0.40

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
SCHEMBL11065133 0.87 HCRTR1 (0.42) HCRTR2HCRTR1ALDH1A1TSHRCYP2C19
SCHEMBL22453807 0.85 HCRTR2 (0.51) HCRTR2HCRTR1TP53MDM2P2RX7
SCHEMBL8534565 0.84 KMT2A (0.45) HCRTR2HCRTR1ALDH1A1CYP2C9TSHR
SCHEMBL27939222 0.81 HCRTR1 (0.44) HCRTR2HCRTR1TP53MDM2P2RX7
SCHEMBL27939223 0.81 HCRTR1 (0.44) HCRTR2HCRTR1TP53MDM2P2RX7
SCHEMBL6703838 0.78 TP53 (0.46) HCRTR2HCRTR1ALDH1A1TSHRCYP2C19
SCHEMBL1649644 0.78 KCNA5 (0.38) P2RX7
SCHEMBL7282645 0.77 HCRTR2 (0.42) HCRTR2HCRTR1TP53MDM2P2RX7
SCHEMBL8881593 0.77 HCRTR2 (0.42) HCRTR2HCRTR1TP53MDM2P2RX7
SCHEMBL16509689 0.77 MTNR1A (0.47) HCRTR2HCRTR1ALDH1A1TP53MDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5149808-A Nootropics, antihypoxic agents BOEHRINGER INGELHEIM KG (DE) 1992-09-22 US disclosed
EP-0266563-B1 USE OF 1-BENZYL-AMINO-ALKYL-PYRROLIDINONES AS ANTIDEPRESSANTS BOEHRINGER INGELHEIM KG (DE) 1992-01-29 EP disclosed
US-5073671-A Nootropic and antihypoxic agents BOEHRINGER INGELHEIM KG (DE) 1991-12-17 US disclosed
US-4996224-A 1-benzyl-4- or 5-pyrrolidinomethyl-pyrrolidin-2-ones and nootropic method of use thereof BOEHRINGER INGELHEIM KG (DE) 1991-02-26 US disclosed
US-4954516-A Use of 1-benzyl-aminoalkyl-pyrrolidinones as antidepressants BOEHRINGER INGELHEIM KG (DE) 1990-09-04 US disclosed
US-4912129-A Administering to humans BOEHRINGER INGELHEIM GMBH (DE) 1990-03-27 US disclosed
US-4833140-A ANTIHYPOXIC AGENTS BOEHRINGER INGELHEIM KG (DE) 1989-05-23 US disclosed
EP-0136658-B1 -1-BENZYL-AMINOALKYL-PYRROLIDINONES AND THEIR ADDITION SALTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOUNDS CONTAINING THEM BOEHRINGER INGELHEIM KG (DE) 1989-04-26 EP disclosed
US-4812453-A Use of 1-benzyl-aminoalkyl-pyrrolidinones as antidepressants BOEHRINGER INGELHEIM KG (DE) 1989-03-14 US disclosed
US-4767759-A ANTIHYPOXICS BOEHRINGER INGELHEIM KG (DE) 1988-08-30 US disclosed
EP-0266563-A2 Use of 1-benzyl-amino-alkyl-pyrrolidinones as antidepressants BOEHRINGER INGELHEIM KG (DE) 1988-05-11 EP disclosed
EP-0136658-A2 -1-Benzyl-aminoalkyl-pyrrolidinones and their addition salts, process for their preparation and pharmaceutical compounds containing them BOEHRINGER INGELHEIM KG (DE) 1985-04-10 EP disclosed