SCHEMBL5212488

SCHEMBL5212488

Cn1ccnc(N2CCC(C(=O)Cc3ccc(F)cc3)CC2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.48
KDM4E B2RXH2 3/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
F10 P00742 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR7 P34969 1/20 0.37
HTR6 P50406 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.36
LMNA P02545 1/20 0.36
STAT3 P40763 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
NOTUM Q6P988 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
SCHEMBL5216402 0.84 SCD (0.47) SCDKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL5214168 0.80 SCD (0.41) SCDKDM4EALDH1A1LMNA
SCHEMBL5210901 0.79 SCD (0.61) SCDKDM4EALDH1A1
SCHEMBL5213284 0.79 SCD (0.51) SCDPOLBMEN1KMT2AALDH1A1
SCHEMBL5213158 0.77 SCD (0.45) SCDKDM4EMEN1KMT2AF10
SCHEMBL9664669 0.71 GAA (0.47) KDM4EPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL5215981 0.69 SCD (0.37) SCDKDM4EALDH1A1
SCHEMBL5215986 0.69 SCD (0.37) SCDKDM4EALDH1A1
SCHEMBL10014259 0.67 SMN1; SMN2 (0.50) KDM4EPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL6469067 0.67 SMN1; SMN2 (0.50) KDM4EPOLBSMN1; SMN2ALDH1A1LMNA

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-1484327-B1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINE THEREOF EISAI R&D MAN CO LTD (JP) 2007-08-01 EP disclosed