SCHEMBL18153299

SCHEMBL18153299

O=C(O)N1CCN(c2nc(Cl)cc(Nc3ccc(F)cc3)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 9/20 0.48
CDK2 P24941 9/20 0.48
MEN1 O00255 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
ALOX5 P09917 1/20 0.42
PPARG P37231 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
MAPT P10636 1/20 0.41
HTR2A P28223 3/20 0.40
HTR2C P28335 3/20 0.40
GALR2 O43603 2/20 0.40
GALR1 P47211 1/20 0.40

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
SCHEMBL18153366 0.88 MAPT (0.51) CCNE1CDK2MAPTGALR2GALR1
SCHEMBL18153346 0.86 CCNE1 (0.48) CCNE1CDK2MEN1BLMKMT2A
SCHEMBL18153413 0.84 PKM (0.50) CCNE1CDK2MEN1BLMKMT2A
SCHEMBL18153275 0.84 GALR2 (0.48) CCNE1CDK2MEN1KMT2AMAPT
SCHEMBL18153404 0.78 CCNE1 (0.42) CCNE1CDK2MEN1BLMKMT2A
SCHEMBL18153386 0.78 PKM (0.46) CCNE1CDK2MEN1BLMKMT2A
SCHEMBL18153255 0.78 SCN9A (0.44)
SCHEMBL18153314 0.76 LMNA (0.66) CCNE1CDK2MEN1KMT2AMAPT
SCHEMBL4730609 0.76 ACHE (0.37) KMT2APPARGTRPV1MAPTGALR2
SCHEMBL18162439 0.74 ACHE (0.47) CCNE1CDK2MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3283472-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS Indiana University Research&Technology Corporation (US) 2018-02-21 EP disclosed
WO-2016168619-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-10-20 WO disclosed