SCHEMBL13891761

SCHEMBL13891761

CN(CCCO)Cc1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 3/20 0.54
SIGMAR1 Q99720 2/20 0.54
TMEM97 Q5BJF2 1/20 0.54
PYCR1 P32322 2/20 0.51
TAAR1 Q96RJ0 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
LTA4H P09960 1/20 0.43
AOC3 Q16853 1/20 0.43
RIPK1 Q13546 1/20 0.41
BCHE P06276 1/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
CCR3 P51677 1/20 0.41

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
SCHEMBL9826270 0.89 PYCR1 (0.55) ACKR3SIGMAR1TMEM97PYCR1TAAR1
SCHEMBL25046697 0.84 TAAR1 (0.58) SIGMAR1TAAR1LTA4HAOC3
SCHEMBL21664511 0.83 PYCR1 (0.53) ACKR3SIGMAR1TMEM97PYCR1TAAR1
SCHEMBL14308432 0.83 PYCR1 (0.50) ACKR3SIGMAR1TMEM97PYCR1BCHE
SCHEMBL5205808 0.81 MAPT (0.49) ACKR3SIGMAR1TMEM97BCHE
SCHEMBL5744436 0.81 SIGMAR1 (0.65) ACKR3SIGMAR1TMEM97
SCHEMBL13989609 0.80 PYCR1 (0.50) ACKR3SIGMAR1TMEM97PYCR1TAAR1
SCHEMBL27083411 0.80 PYCR1 (0.50) ACKR3SIGMAR1TMEM97PYCR1TAAR1
Hydrochloric Acid SCHEMBL31687514 0.80 PYCR1 (0.50) ACKR3SIGMAR1TMEM97PYCR1TAAR1
SCHEMBL30093198 0.80 PYCR1 (0.67) PYCR1TAAR1L3MBTL1AOC3RIPK1

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
WO-2023017152-A1 SPECIFIC SMALL MOLECULE INHIBITORS THAT BLOCK KMT9 METHYLTRANSFERASE ACTIVITY AND FUNCTION ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2023-02-16 WO disclosed
EP-1473295-B1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES KYORIN SEIYAKU KK (JP) 2009-04-01 EP disclosed