SCHEMBL8956879

SCHEMBL8956879

COc1ccccc1CC(=O)N1C[C@@H]2[C@H](C1)C(c1ccccc1)(c1ccccc1)C[C@H](O)[C@@]2(O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FNTA P49354 6/20 0.58
FNTB P49356 6/20 0.58
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
TACR1 P25103 3/20 0.49
MAPT P10636 2/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
SIGMAR1 Q99720 2/20 0.47
GRIN2B Q13224 1/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALOX15 P16050 1/20 0.44

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 0.93 FNTA (0.60) FNTAFNTBKMT2AMEN1TACR1
SCHEMBL8783447 0.87 FNTA (0.53) FNTAFNTBKMT2AMEN1TACR1
SCHEMBL8788673 0.86 FNTA (0.52) FNTAFNTBKMT2AMEN1TACR1
SCHEMBL9139914 0.86 FNTA (0.52) FNTAFNTBKMT2AMEN1TACR1
SCHEMBL8895688 0.84 FNTA (0.51) FNTAFNTBKMT2AMEN1TACR1
SCHEMBL8894524 0.84 TACR1 (0.51) FNTAFNTBKMT2AMEN1TACR1
SCHEMBL8894203 0.84 TACR1 (0.51) FNTAFNTBKMT2AMEN1TACR1
SCHEMBL8956981 0.83 FNTA (0.62) FNTAFNTBKMT2AMEN1TACR1
SCHEMBL8893745 0.83 FNTA (0.49) FNTAFNTBKMT2AMEN1TACR1
SCHEMBL8956909 0.81 TACR1 (0.67) FNTAFNTBKMT2AMEN1TACR1

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-5484804-A Perhydroisoindole derivatives as antagonists of substance P RHONE-POULENC RORER S.A. (FR) 1996-01-16 US disclosed
US-5463077-A Exhibit substance P antagonist activity RHONE-POULENC RORER S.A. (FR) 1995-10-31 US disclosed