SCHEMBL7613136

SCHEMBL7613136

CCC1CC(NC(=O)O)c2ccccc2N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
MTNR1A P48039 6/20 0.39
HSD17B2 P37059 1/20 0.38
MTNR1B P49286 4/20 0.36
EGFR P00533 3/20 0.35
HSPA1A P0DMV8 1/20 0.35
PTPN7 P35236 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL4132012 0.82 MAPT (0.45) BRD4CREBBPEGFRHSPA1APTPN7
SCHEMBL1043937 0.82 MAPT (0.45) BRD4CREBBPEGFRHSPA1APTPN7
SCHEMBL4135246 0.81 BRD4 (0.40) BRD4CREBBPMEN1ALOX15KMT2A
SCHEMBL4135241 0.81 BRD4 (0.40) BRD4CREBBPMEN1ALOX15KMT2A
SCHEMBL4127974 0.81 BRD4 (0.40) BRD4CREBBPMEN1ALOX15KMT2A
SCHEMBL4127978 0.81 BRD4 (0.40) BRD4CREBBPMEN1ALOX15KMT2A
SCHEMBL4127983 0.81 BRD4 (0.40) BRD4CREBBPMEN1ALOX15KMT2A
SCHEMBL6360641 0.78 HSD17B2 (0.48) HSD17B2PTGDR2
SCHEMBL3197354 0.78 HSD17B2 (0.48) HSD17B2PTGDR2
SCHEMBL18407438 0.73 BRD4 (0.46) BRD4CREBBPMTNR1AMEN1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1402711-A 4-carboxyamino-2-ethyl-1, 2,3, 4-tetrahydroquinoline crystals as CETP inhibitors PFIZER PROD INC (US) 2003-03-12 CN disclosed
EP-1246804-A1 4-CARBOXYAMINO-2-ETHYL-1,2,3,4-TETRAHYDROQUINOLINE CRYSTAL AS CETP INHIBITOR Pfizer Products Inc. (US) 2002-10-09 EP disclosed
EP-1246804-A1 4-CARBOXYAMINO-2-ETHYL-1,2,3,4-TETRAHYDROQUINOLINE CRYSTAL AS CETP INHIBITOR Pfizer Products Inc. (US) 2002-10-09 EP disclosed
WO-2001040190-A1 4-CARBOXYAMINO-2-ETHYL-1,2,3,4-TETRAHYDROQUINOLINE CRYSTAL AS CETP INHIBITOR PFIZER PRODUCTS INC. (US) 2001-06-07 WO disclosed
WO-2001040190-A1 4-CARBOXYAMINO-2-ETHYL-1,2,3,4-TETRAHYDROQUINOLINE CRYSTAL AS CETP INHIBITOR PFIZER PRODUCTS INC. (US) 2001-06-07 WO disclosed