SCHEMBL8893745

SCHEMBL8893745

COc1ccccc1C1(O)C(O)CC(c2ccccc2)(c2ccccc2)C2CN(C(=O)Cc3ccccc3N3CCCC3)CC21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FNTA P49354 6/20 0.49
FNTB P49356 6/20 0.49
TACR1 P25103 2/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
HTR1A P08908 2/20 0.40
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
MAPT P10636 2/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL9142783 0.90 FNTA (0.60) FNTAFNTBTACR1KMT2AMEN1
SCHEMBL8783447 0.87 FNTA (0.53) FNTAFNTBTACR1KMT2AMEN1
SCHEMBL8894524 0.85 TACR1 (0.51) FNTAFNTBTACR1KMT2AMEN1
SCHEMBL8895688 0.85 FNTA (0.51) FNTAFNTBTACR1KMT2AMEN1
SCHEMBL8894203 0.85 TACR1 (0.51) FNTAFNTBTACR1KMT2AMEN1
SCHEMBL8788673 0.84 FNTA (0.52) FNTAFNTBTACR1KMT2AMEN1
SCHEMBL9139914 0.84 FNTA (0.52) FNTAFNTBTACR1KMT2AMEN1
SCHEMBL8956879 0.83 FNTA (0.58) FNTAFNTBTACR1KMT2AMEN1
SCHEMBL8894771 0.81 FNTA (0.46) FNTAFNTBTACR1KMT2AMEN1
SCHEMBL8895108 0.81 FNTA (0.49) FNTAFNTBTACR1KMT2AMEN1

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