SCHEMBL18153311

SCHEMBL18153311

Cc1ccc(Nc2cc(N3CCCC3)nc(N3CCN(C(=O)O)CC3)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
APAF1 O14727 1/20 0.58
GAA P10253 1/20 0.58
PPP1CA P62136 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
GALR2 O43603 4/20 0.57
GALR1 P47211 2/20 0.57
GBA1 P04062 12/20 0.56
BPTF Q12830 1/20 0.50
LMNA P02545 1/20 0.49
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46

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
SCHEMBL3245932 0.87 GALR2 (0.61) MAPTAPAF1GAAPPP1CASENP8
SCHEMBL18153314 0.86 LMNA (0.66) MAPTGBA1BPTFLMNA
SCHEMBL18162424 0.86 GALR2 (0.55) MAPTAPAF1GAAPPP1CASENP8
SCHEMBL18153367 0.85 GALR2 (0.55) MAPTAPAF1GAAPPP1CASENP8
SCHEMBL18153366 0.84 MAPT (0.51) MAPTGALR2GALR1BPTFLMNA
SCHEMBL3240927 0.83 GALR2 (0.77) MAPTAPAF1GAAPPP1CASENP8
SCHEMBL18153312 0.82 LMNA (0.49) MAPTAPAF1GAAPPP1CASENP8
SCHEMBL3240588 0.82 GALR2 (0.59) MAPTAPAF1GAAPPP1CASENP8
SCHEMBL18153416 0.81 CASP1 (0.61) MAPTAPAF1GAAPPP1CASENP8
SCHEMBL3246321 0.81 CASP1 (0.59) MAPTAPAF1GAAPPP1CASENP8

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