SCHEMBL5374166

SCHEMBL5374166

COc1c(C(N)=O)ccc2c1ccn2N1CCC(Cc2ccc(F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.40
OPRM1 P35372 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CCR3 P51677 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL5365947 0.90 MEN1 (0.48) MAPK14MEN1KMT2ACYP2C9CYP2C19
SCHEMBL5378327 0.85 CCR3 (0.40) MAPK14CCR3
SCHEMBL5732819 0.80 MEN1 (0.46) MAPK14MEN1KMT2ACCR3CYP2C9
SCHEMBL5374169 0.76 MAPK14 (0.42) MAPK14MEN1KMT2A
SCHEMBL5383884 0.75 GAA (0.47) MAPK14MEN1KMT2ACCR3CYP2C9
SCHEMBL5376287 0.74 MAPK14 (0.43) MAPK14CCR3
SCHEMBL5201672 0.70 MEN1 (0.57) MAPK14MEN1KMT2ACYP2C9CYP2C19
SCHEMBL5806708 0.66 MEN1 (0.55) MAPK14MEN1KMT2ACCR3CYP2C9
SCHEMBL5204083 0.66 CYP2C9 (0.52) MAPK14MEN1KMT2ACYP2C9CYP2C19
SCHEMBL7443112 0.65 MEN1 (0.52) MAPK14MEN1KMT2ACYP2C9CYP2C19

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
US-7189739-B2 Compounds and methods to treat cardiac failure and other disorders SCIOS, INC. (US) 2007-03-13 US claimed
EP-1080078-B1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC (US) 2006-02-01 EP claimed
US-7189739-B2 Compounds and methods to treat cardiac failure and other disorders SCIOS, INC. (US) 2007-03-13 US disclosed
US-6589954-B1 Indoles, benzimidazoles and benztriazoles which are substituted at the 5 or 6 position with a substituent comprising an aromatic moiety linked through a piperazine ring to said indole, benzimidazole or benztriazole are useful SCIOS, INC. 2003-07-08 US disclosed
US-6340685-B1 ANTIINFLAMMATORY AGENTS SCIOS, INC. 2002-01-22 US disclosed