SCHEMBL6110992

SCHEMBL6110992

CCCOC(=O)N1CC=Cc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 2/20 0.44
P2RX4 Q99571 5/20 0.42
ALDH1A1 P00352 3/20 0.41
BCHE P06276 3/20 0.40
P2RX1 P51575 2/20 0.40
P2RX3 P56373 2/20 0.40
PTBP1 P26599 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
P2RX7 Q99572 1/20 0.38
ADORA1 P30542 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
GAA P10253 2/20 0.37
MAPK1 P28482 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL3719677 0.92 BCHE (0.50) SMN1; SMN2LMNAP2RX4ALDH1A1BCHE
SCHEMBL205655 0.90 SMN1; SMN2 (0.53) SMN1; SMN2LMNAP2RX4ALDH1A1BCHE
SCHEMBL29549990 0.90 SMN1; SMN2 (0.53) SMN1; SMN2LMNAP2RX4ALDH1A1BCHE
SCHEMBL411007 0.88 SMN1; SMN2 (0.44) SMN1; SMN2LMNAP2RX4ALDH1A1BCHE
SCHEMBL29639604 0.88 SMN1; SMN2 (0.44) SMN1; SMN2LMNAP2RX4ALDH1A1BCHE
SCHEMBL6110401 0.82 P2RX4 (0.64) SMN1; SMN2LMNAP2RX4ALDH1A1P2RX1
SCHEMBL27785934 0.81 P2RX4 (0.58) SMN1; SMN2LMNAP2RX4BCHEP2RX1
SCHEMBL28802473 0.81 P2RX4 (0.63) SMN1; SMN2P2RX4ALDH1A1P2RX1P2RX3
SCHEMBL8769449 0.78 P2RX4 (0.43) SMN1; SMN2LMNAP2RX4BCHEP2RX1
SCHEMBL27460751 0.78 BCHE (0.52) SMN1; SMN2LMNAALDH1A1BCHEMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1458840-A Pharmaceutical composition of cholesteryl ester transfer protein inhibitor PFIZER PROD INC (US) 2003-11-26 CN claimed
WO-2006033004-A1 QUINOLINE COMPOUNDS AS CETP INHIBITORS PFIZER PRODUCTS INC. (US) 2006-03-30 WO disclosed
CN-1625397-A Controlled release pharmaceutical dosage forms of a cholesteryl ester transfer protein inhibitor PFIZER PROD INC (US) 2005-06-08 CN disclosed
CN-1545421-A Pharmaceutical composition comprising a low-solubility and/or acid-sensitive drug and a neutralized acidic polymer �Ʒ� 2004-11-10 CN disclosed
EP-1469831-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING A SOLID AMORPHOUS DISPERSION OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS Pfizer Products Inc. (US) 2004-10-27 EP disclosed
EP-1401399-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING POLYMER AND DRUG ASSEMBLIES Pfizer Products Inc. (US) 2004-03-31 EP disclosed
CN-1458840-A Pharmaceutical composition of cholesteryl ester transfer protein inhibitor PFIZER PROD INC (US) 2003-11-26 CN disclosed
WO-2003063832-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING A SOLID AMORPHOUS DISPERSION OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS PFIZER PRODUCTS INC. (US) 2003-08-07 WO disclosed
WO-2003000226-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING POLYMER AND DRUG ASSEMBLIES PFIZER PRODUCTS INC. (US) 2003-01-03 WO disclosed