SCHEMBL21077873

SCHEMBL21077873

NC(=O)CC1(c2ccccc2)CCN(I)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
HSD11B1 P28845 5/20 0.40
NPFFR1 Q9GZQ6 1/20 0.40
NPFFR2 Q9Y5X5 1/20 0.40
OPRM1 P35372 1/20 0.39
P2RX7 Q99572 1/20 0.39
DPP4 P27487 1/20 0.39
EPHX2 P34913 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL21078137 0.85 SLC6A4 (0.41) HSD11B1OPRM1P2RX7EPHX2LMNA
SCHEMBL16565921 0.84 P2RX7 (0.53) HSD11B1OPRM1P2RX7KMT2A
SCHEMBL4866308 0.82 DPP4 (0.58) MAOAMAOBTAAR1HSD11B1DPP4
SCHEMBL17886575 0.81 OPRM1 (0.58) MAOAMAOBTAAR1HSD11B1NPFFR1
SCHEMBL3934544 0.81 NPFFR1 (0.60) NPFFR1NPFFR2OPRM1TSHRLMNA
SCHEMBL17761202 0.80 DPP4 (0.56) MAOAMAOBTAAR1HSD11B1DPP4
SCHEMBL21078099 0.78 MAOB (0.68) MAOAMAOBTAAR1OPRM1DPP4
SCHEMBL6628915 0.78 CHRM2 (0.43) MAOAMAOBTAAR1NPFFR1NPFFR2
SCHEMBL4760898 0.78 TACR1 (0.49) MAOAMAOBTAAR1HSD11B1OPRM1
SCHEMBL4033607 0.76 NPC1 (0.57) EPHX2TSHRL3MBTL1MEN1KMT2A

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-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 EP disclosed