SCHEMBL3634987

SCHEMBL3634987

NC(=O)OCCCc1ccc(F)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
MPO P05164 5/20 0.41
SLC6A4 P31645 1/20 0.41
PKM P14618 1/20 0.40
P2RX7 Q99572 2/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
NR3C2 P08235 1/20 0.33
CA2 P00918 1/20 0.33
IDO1 P14902 2/20 0.33
AGXT P21549 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.32
NOTUM Q6P988 1/20 0.32

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
SCHEMBL2545484 0.78 LMNA (0.60) LMNAPKMFFAR1FFAR4IDO1
SCHEMBL27776233 0.77 MPO (0.37) MPOSLC6A4PKMP2RX7FFAR1
SCHEMBL3100399 0.77 FFAR1 (0.48) LMNAPKMFFAR1FFAR4L3MBTL1
SCHEMBL20220477 0.76 SLC6A4 (0.36) SLC6A4PKMP2RX7IDO1AGXT
SCHEMBL28922696 0.76 PKM (0.49) LMNAMPOSLC6A4PKMFFAR1
SCHEMBL28963079 0.74 LMNA (0.38) LMNAMPOSLC6A4PKMFFAR1
SCHEMBL3637969 0.74 CA2 (0.46) MPOSLC6A4PKMP2RX7CA2
SCHEMBL30817945 0.74 CA2 (0.46) MPOSLC6A4PKMP2RX7CA2
SCHEMBL27611364 0.73 L3MBTL1 (0.45) LMNAP2RX7L3MBTL1MEN1KMT2A
SCHEMBL1345638 0.73 P2RX7 (0.45) MPOSLC6A4PKMP2RX7IDO1

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-2155734-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2010-02-24 EP disclosed
WO-2008144223-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-11-27 WO disclosed