SCHEMBL17082013

SCHEMBL17082013

CN1CCC(N2CC[C@@]3(CCCN(c4ccc(C(F)(F)F)cn4)C3)C2=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.45
KDM4E B2RXH2 4/20 0.42
ABL1 P00519 1/20 0.42
LMNA P02545 1/20 0.42
CXCR3 P49682 4/20 0.41
POLB P06746 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
ADAM10 O14672 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP12 P39900 1/20 0.40
MMP14 P50281 1/20 0.40
ADAM17 P78536 1/20 0.40
ADAM9 Q13443 1/20 0.40
ADAM33 Q9BZ11 1/20 0.40
KMT2A Q03164 2/20 0.39

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
SCHEMBL549689 1.00 HTR7 (0.45) HTR7KDM4EABL1LMNACXCR3
SCHEMBL550399 0.91 HTR7 (0.47) HTR7KDM4EABL1LMNACXCR3
SCHEMBL549371 0.89 KDM4E (0.45) HTR7KDM4EABL1LMNACXCR3
SCHEMBL549186 0.89 KDM4E (0.45) HTR7KDM4EABL1LMNACXCR3
SCHEMBL550341 0.89 KDM4E (0.45) HTR7KDM4EABL1LMNACXCR3
SCHEMBL549187 0.89 KDM4E (0.45) HTR7KDM4EABL1LMNACXCR3
SCHEMBL550342 0.89 KDM4E (0.45) HTR7KDM4EABL1LMNACXCR3
SCHEMBL549372 0.89 KDM4E (0.45) HTR7KDM4EABL1LMNACXCR3
SCHEMBL550575 0.88 HTR7 (0.45) HTR7KDM4EABL1LMNACXCR3
SCHEMBL550607 0.88 HTR7 (0.45) HTR7KDM4EABL1LMNACXCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812005-B1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2015-09-16 EP disclosed