SCHEMBL3466546

SCHEMBL3466546

Fc1ccccc1C[C@@H]1CCCNC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EED O75530 4/20 0.56
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
KMT2A Q03164 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
ACP1 P24666 5/20 0.42
HTR1A P08908 2/20 0.41
SLC6A2 P23975 2/20 0.41
ATM Q13315 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 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
SCHEMBL3466544 1.00 EED (0.56) EEDCHRNB2CHRNA4KMT2AHRH4
Hydrochloric Acid SCHEMBL7377970 0.89 SLC6A2 (0.43) EEDHRH4HRH3HTR1ASLC6A2
SCHEMBL27599568 0.84 KMT2A (0.49) EEDCHRNB2CHRNA4KMT2AHRH4
Hydrochloric Acid SCHEMBL1475436 0.83 KMT2A (0.48) EEDCHRNB2CHRNA4KMT2AHRH4
SCHEMBL20181234 0.83 TAAR1 (0.42) EEDKMT2AHTR1ASLC6A2ATM
Hydrochloric Acid SCHEMBL23830448 0.81 IDO1 (0.41) EEDKMT2AHTR1ASLC6A2ATM
SCHEMBL13272386 0.81 ATM (0.50) EEDKMT2AATMSLC6A4
SCHEMBL11633199 0.81 EED (0.56) EEDCHRNB2CHRNA4KMT2AHRH4
SCHEMBL28517671 0.81 EED (0.56) EEDCHRNB2CHRNA4KMT2AHRH4
SCHEMBL19908818 0.81 EED (0.56) EEDCHRNB2CHRNA4KMT2AHRH4

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
WO-2010069979-A1 PYRAN DERIVATIVES AS CCR3 MODULATORS NYCOMED GMBH (DE) 2010-06-24 WO disclosed