SCHEMBL7137809

SCHEMBL7137809

CCCCCc1c[nH]cc1-c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TLR8 Q9NR97 1/20 0.38
AXL P30530 1/20 0.38
FLT3 P36888 1/20 0.38
TYRO3 Q06418 1/20 0.38
MERTK Q12866 1/20 0.38
GAS6 Q14393 1/20 0.38

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
SCHEMBL21565078 0.80 LIPG (0.47) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL2955776 0.80 LIPG (0.47) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL28444772 0.77 NR1H2 (0.47) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL4725082 0.76 CYP1A2 (0.49) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL5327985 0.75 CYP1A2 (0.46) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL6089012 0.75 CYP1A2 (0.46) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL28448529 0.75 LIPG (0.49) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL21565085 0.75 LIPG (0.49) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL1082873 0.74 CYP1A2 (0.41) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL14680982 0.73 CYP1A2 (0.47) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1210273-C Substituted 3-pyridyl-4-arylpyrroles and methods of treatment and prevention of related diseases ORTHO MCNEIL PHARM INC (US) 2005-07-13 CN disclosed
CN-1210273-C Substituted 3-pyridyl-4-arylpyrroles and methods of treatment and prevention of related diseases ORTHO MCNEIL PHARM INC (US) 2005-07-13 CN disclosed
EP-1178981-B1 SUBSTITUTED 3-PYRIDYL-4-ARYLPYRROLES, AND RELATED THERAPEUTIC AND PROPHYLACTIC METHODS ORTHO MCNEIL PHARM INC (US) 2003-06-25 EP disclosed
EP-1178981-B1 SUBSTITUTED 3-PYRIDYL-4-ARYLPYRROLES, AND RELATED THERAPEUTIC AND PROPHYLACTIC METHODS ORTHO MCNEIL PHARM INC (US) 2003-06-25 EP disclosed
US-6562843-B1 For treating disorders ameliorated by a reduction in TNF-alpha production and/or p38 activity, and are therefore useful for treating inflammatory disorders such as rheumatoid arthritis, as well as AIDS-related disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-05-13 US disclosed
US-6562843-B1 For treating disorders ameliorated by a reduction in TNF-alpha production and/or p38 activity, and are therefore useful for treating inflammatory disorders such as rheumatoid arthritis, as well as AIDS-related disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-05-13 US disclosed
US-6562843-B1 For treating disorders ameliorated by a reduction in TNF-alpha production and/or p38 activity, and are therefore useful for treating inflammatory disorders such as rheumatoid arthritis, as well as AIDS-related disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-05-13 US disclosed
CN-1361773-A Substituted 3-pyridyl-4-arylpyrroles and methods of treatment and prevention of related diseases ORTHO MCNEIL PHARM INC (US) 2002-07-31 CN disclosed
CN-1361773-A Substituted 3-pyridyl-4-arylpyrroles and methods of treatment and prevention of related diseases ORTHO MCNEIL PHARM INC (US) 2002-07-31 CN disclosed
EP-1178981-A1 SUBSTITUTED 3-PYRIDYL-4-ARYLPYRROLES, AND RELATED THERAPEUTIC AND PROPHYLACTIC METHODS Ortho-Mcneil Pharmaceutical, Inc. (US) 2002-02-13 EP disclosed
EP-1178981-A1 SUBSTITUTED 3-PYRIDYL-4-ARYLPYRROLES, AND RELATED THERAPEUTIC AND PROPHYLACTIC METHODS Ortho-Mcneil Pharmaceutical, Inc. (US) 2002-02-13 EP disclosed
WO-2000069847-A1 SUBSTITUTED 3-PYRIDYL-4-ARYLPYRROLES, AND RELATED THERAPEUTIC AND PROPHYLACTIC METHODS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-11-23 WO disclosed
WO-2000069847-A1 SUBSTITUTED 3-PYRIDYL-4-ARYLPYRROLES, AND RELATED THERAPEUTIC AND PROPHYLACTIC METHODS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-11-23 WO disclosed