SCHEMBL8895417

SCHEMBL8895417

COc1ccccc1C1(O)C(O)CC(c2ccccc2)(c2ccccc2)C2CN(C(=O)Cc3ccc(N(C)C)cc3)CC21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FNTA P49354 6/20 0.46
FNTB P49356 6/20 0.46
TACR1 P25103 4/20 0.45
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 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
SCHEMBL8894771 0.90 FNTA (0.46) FNTAFNTBTACR1KDM4EALOX15
SCHEMBL8894528 0.87 ALDH1A1 (0.46) FNTAFNTBTACR1KDM4EALOX15
SCHEMBL8894203 0.87 TACR1 (0.51) FNTAFNTBTACR1KDM4EALOX15
SCHEMBL8894524 0.87 TACR1 (0.51) FNTAFNTBTACR1KDM4EALOX15
SCHEMBL8894055 0.87 TACR1 (0.46) FNTAFNTBTACR1KDM4EALOX15
SCHEMBL9142783 0.86 FNTA (0.60) FNTAFNTBTACR1KDM4EALOX15
SCHEMBL8783447 0.84 FNTA (0.53) FNTAFNTBTACR1KDM4EALOX15
SCHEMBL9139914 0.83 FNTA (0.52) FNTAFNTBTACR1KDM4EALOX15
SCHEMBL8788673 0.83 FNTA (0.52) FNTAFNTBTACR1KDM4EALOX15
SCHEMBL8895688 0.82 FNTA (0.51) FNTAFNTBTACR1KDM4EOPRD1

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
US-5631279-A ANTAGONISTS OF NEUROKININ A RHONE-POULENC RORER, S.A. (FR) 1997-05-20 US disclosed