SCHEMBL9467170

SCHEMBL9467170

CCC1(c2ccccc2)CC(=O)NC(=O)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
APEX1 P27695 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP2C19 P33261 4/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
BACE1 P56817 1/20 0.44
CYP19A1 P11511 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
MMP3 P08254 1/20 0.38
OPRM1 P35372 1/20 0.37

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
SCHEMBL9129817 0.81 CYP19A1 (0.50) CYP2C19LMNAKDM4ECYP19A1
SCHEMBL2168324 0.81 CYP19A1 (0.61) CYP2C19LMNAKDM4ECYP19A1
SCHEMBL9786766 0.80 CYP3A4 (0.45) TSHRMEN1CYP1A2POLBAPEX1
SCHEMBL10938573 0.80 CYP19A1 (0.44) CYP2C19LMNAKDM4EBACE1CYP19A1
SCHEMBL5858162 0.79 TSHR (0.42) TSHRMEN1CYP1A2POLBAPEX1
SCHEMBL9303403 0.75 SLC6A2 (0.43) TSHRMEN1CYP1A2KMT2ACYP2C19
SCHEMBL15955086 0.74 MAOA (0.60) TSHRMEN1CYP1A2POLBAPEX1
SCHEMBL11840135 0.74 CYP19A1 (0.71) TSHRMEN1CYP1A2POLBAPEX1
SCHEMBL11841553 0.74 CYP19A1 (0.71) TSHRMEN1CYP1A2POLBAPEX1
SCHEMBL9786753 0.74 KDM4E (0.39) TSHRMEN1CYP1A2POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE34201-E Analgesics ANAQUEST, INC. (US) 1993-03-23 US disclosed
US-5071857-A Anticarcinogenic agent NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1991-12-10 US disclosed
US-5053411-A Analgesics ANAQUEST, INC. (US) 1991-10-01 US disclosed
EP-0396282-A2 N-aryl-N-[4-(heterocyclicalkyl) piperidinyl]amides and pharmaceutical compositions and methods employing such compounds BOC, INC. (US) 1990-11-07 EP disclosed
EP-0169062-B1 GLUTARIMIDE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1989-04-19 EP disclosed
EP-0147121-B1 2,6-DIOXOPIPERIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1988-02-03 EP disclosed
US-4668689-A 3-ALKYL-3-PYRIDYL) DERIVATIVES NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1987-05-26 US disclosed
EP-0169062-A1 Glutarimide derivatives, their preparation and pharmaceutical compositions containing them NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1986-01-22 EP disclosed
EP-0147121-A1 2,6-Dioxopiperidine derivatives, their preparation and pharmaceutical compositions containing them NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1985-07-03 EP disclosed
WO-1985002618-A1 2,6-DIOXOPIPERIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1985-06-20 WO disclosed