SCHEMBL17082020

SCHEMBL17082020

Cc1cc(Br)ccc1N1CC[C@@]2(CCCN(c3ccc(C(F)(F)F)cn3)C2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.40
KDM4E B2RXH2 9/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
MAPT P10636 3/20 0.36
APAF1 O14727 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL549404 1.00 HTR7 (0.40) HTR7KDM4ESMN1; SMN2LMNAHTT
SCHEMBL17082077 0.87 SMN1; SMN2 (0.43) HTR7KDM4ESMN1; SMN2LMNAHTT
SCHEMBL550732 0.87 SMN1; SMN2 (0.43) HTR7KDM4ESMN1; SMN2LMNAHTT
SCHEMBL17082054 0.87 MAOB (0.41) HTR7KDM4ESMN1; SMN2LMNAHTT
SCHEMBL549626 0.87 MAOB (0.41) HTR7KDM4ESMN1; SMN2LMNAHTT
SCHEMBL549474 0.85 HTR7 (0.41) HTR7KDM4ESMN1; SMN2LMNAHTT
SCHEMBL17082033 0.85 HTR7 (0.41) HTR7KDM4ESMN1; SMN2LMNAHTT
SCHEMBL549667 0.85 GAA (0.53) HTR7KDM4EPKMHPGDPOLB
SCHEMBL550515 0.85 KDM4E (0.53) KDM4ESMN1; SMN2LMNAHTTPKM
SCHEMBL17082062 0.85 KDM4E (0.53) KDM4ESMN1; SMN2LMNAHTTPKM

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