SCHEMBL6765996

SCHEMBL6765996

Nc1nccc2ccc(OCCN(C(=O)C(F)(F)F)c3ccc(C(=O)N4CCCC4)cc3)cc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.41
HPGD P15428 4/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
F10 P00742 1/20 0.39
C1S P09871 1/20 0.39
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK7 Q13164 1/20 0.37
MLYCD O95822 1/20 0.36
KLKB1 P03952 1/20 0.36
MAOB P27338 1/20 0.36
AOC3 Q16853 1/20 0.36
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
DHFR P00374 1/20 0.35

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
SCHEMBL6769131 0.96 HRH3 (0.43) HRH3HPGDALDH1A1MEN1KMT2A
SCHEMBL6890251 0.84 F10 (0.38) ALDH1A1MEN1KMT2AF10KDM4E
SCHEMBL6770185 0.84 TBXAS1 (0.36) HPGDALDH1A1SMN1; SMN2F10KDM4E
SCHEMBL6771054 0.82 MLYCD (0.37) HRH3HPGDALDH1A1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL6765882 0.80 F10 (0.56) HRH3HPGDALDH1A1MEN1KMT2A
SCHEMBL6775235 0.80 TBXAS1 (0.36) HRH3HPGDALDH1A1SMN1; SMN2F10
Trifluoroacetic Acid SCHEMBL6769129 0.80 F10 (0.53) HRH3HPGDALDH1A1MEN1KMT2A
SCHEMBL3901372 0.79 F10 (0.64) F10
SCHEMBL5105097 0.78 F10 (0.62) F10
Trifluoroacetic Acid SCHEMBL7812384 0.72 F10 (0.40) HRH3F10C1SMAPK7KLKB1

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
US-6825181-B1 ORALLY ADMINISTRATED TO EXHIBIT A STRONG ANTICOAGULANT EFFECT BY INHIBITING ACTIVATED BLOOD- COAGULATION FACTOR X AJINOMOTO CO., INC. (JP) 2004-11-30 US disclosed
EP-1065200-A1 AMINOISOQUINOLINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2001-01-03 EP disclosed