SCHEMBL8356355

SCHEMBL8356355

O=C(c1ccccc1)N1CCN(c2nccc(C(F)(F)F)n2)CC1

nearest known ligand 0.91

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.91
SLC6A7 Q99884 11/20 0.87
HSD11B1 P28845 1/20 0.58
ALDH1A1 P00352 1/20 0.57
TSHR P16473 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
KDM4E B2RXH2 1/20 0.54
ADRB1 P08588 1/20 0.54
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
RBP4 P02753 1/20 0.51

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
SCHEMBL3582132 0.93 SLC6A7 (1.00) PKMSLC6A7ALDH1A1TSHRL3MBTL1
SCHEMBL6652874 0.88 PKM (0.72) PKMSLC6A7HSD11B1ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL6652141 0.87 PKM (0.71) PKMSLC6A7HSD11B1ALDH1A1L3MBTL1
Hypochlorous Acid SCHEMBL6652143 0.86 PKM (0.70) PKMSLC6A7HSD11B1ALDH1A1L3MBTL1
SCHEMBL5232026 0.85 SLC6A7 (0.68) PKMSLC6A7ALDH1A1CA12CA1
SCHEMBL6650793 0.82 ALDH1A1 (0.71) PKMSLC6A7ALDH1A1TSHRL3MBTL1
SCHEMBL6651783 0.81 ALDH1A1 (0.70) PKMSLC6A7ALDH1A1CA12CA1
SCHEMBL3069202 0.81 PKM (0.77) PKMSLC6A7ALDH1A1CA12CA1
SCHEMBL8354208 0.81 ADRB1 (0.78) PKMSLC6A7ALDH1A1CA12CA1
SCHEMBL5904089 0.79 PKM (0.60) PKMSLC6A7ALDH1A1CA12CA1

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-2004029044-A1 PYRIMIDINE COMPOUNDS AS THERAPEUTIC AGENTS EURO-CELTIQUE, S.A. (LU) 2004-04-08 WO disclosed