SCHEMBL6576954

SCHEMBL6576954

CCOC(=O)C(C#N)C1(c2cc(C)cc(C)c2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 1/20 0.45
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SIGMAR1 Q99720 3/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 2/20 0.43
OPRM1 P35372 1/20 0.43
HPGD P15428 1/20 0.42

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
SCHEMBL6576890 0.87 KMT2A (0.47) KMT2AMEN1CYP3A4CYP2D6CYP2C9
SCHEMBL3525887 0.84 OPRL1 (0.48) KMT2AMEN1CYP3A4CYP2D6CYP2C9
SCHEMBL13818190 0.81 CYP3A4 (0.55) KMT2AMEN1CYP3A4CYP2D6CYP2C9
SCHEMBL6264708 0.77 OPRM1 (0.43) KMT2AMEN1SMN1; SMN2OPRM1
SCHEMBL29284610 0.77 KMT2A (0.47) KMT2AMEN1CYP3A4CYP2D6CYP2C9
SCHEMBL16862203 0.76 KMT2A (0.46) KMT2AMEN1CYP3A4CYP2D6CYP2C9
SCHEMBL6577266 0.75 SIGMAR1 (0.53) KMT2AMEN1CYP3A4CYP2D6CYP2C9
SCHEMBL19357459 0.75 SMN1; SMN2 (0.45) KMT2AMEN1CYP3A4CYP2D6CYP2C9
SCHEMBL625405 0.75 SMN1; SMN2 (0.45) KMT2AMEN1CYP3A4CYP2D6CYP2C9
SCHEMBL19031287 0.74 HDAC4 (0.43) KMT2AMEN1CYP3A4CYP2D6CYP2C9

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
EP-0994876-B1 QUATERNARY AMMONIUM COMPOUNDS AS TACHYKININ ANTAGONISTS PFIZER LTD (GB) 2004-09-08 EP disclosed
US-6380396-B1 CHEMICAL INTERMEDIATES FOR ANTIINFLAMMATORY AGENTS PFIZER INC. 2002-04-30 US disclosed
US-6207678-B1 USED FOR TREATING INFLAMMATORY DISEASE SUCH AS ARTHRITIS, PSORIASIS, ASTHMA OR INFLAMMATORY BOWEL DISEASE, CENTRAL NERVOUS SYSTEM DISORDER SUCH AS ANXIETY, DEPRESSION, DEMENTIA OR PSYCHOSIS, GASTROINTESTINAL DISORDERS PFIZER INC 2001-03-27 US disclosed
EP-0994876-A1 QUATERNARY AMMONIUM COMPOUNDS AS TACHYKININ ANTAGONISTS Pfizer Limited (GB) 2000-04-26 EP disclosed
WO-1998057972-A1 QUATERNARY AMMONIUM COMPOUNDS AS TACHYKININ ANTAGONISTS PFIZER LIMITED (GB) 1998-12-23 WO disclosed