SCHEMBL9003093

SCHEMBL9003093

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

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FNTA P49354 6/20 0.72
FNTB P49356 6/20 0.72
KMT2A Q03164 4/20 0.53
TACR1 P25103 4/20 0.53
MEN1 O00255 3/20 0.53
CYP3A4 P08684 1/20 0.53
MAPT P10636 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
SIGMAR1 Q99720 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTR1A P08908 2/20 0.43
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43

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
SCHEMBL9266283 0.89 FNTA (0.71) FNTAFNTBKMT2ATACR1MEN1
SCHEMBL8970958 0.89 FNTA (0.71) FNTAFNTBKMT2ATACR1MEN1
SCHEMBL9003165 0.88 TACR1 (0.66) FNTAFNTBKMT2ATACR1MEN1
SCHEMBL9268760 0.85 TACR1 (0.60) FNTAFNTBKMT2ATACR1MEN1
SCHEMBL9002973 0.85 TACR1 (0.60) FNTAFNTBKMT2ATACR1MEN1
SCHEMBL9003112 0.84 TACR1 (0.68) FNTAFNTBKMT2ATACR1MEN1
SCHEMBL9002872 0.84 TACR1 (0.68) FNTAFNTBKMT2ATACR1MEN1
SCHEMBL9271043 0.84 TACR1 (0.68) FNTAFNTBKMT2ATACR1MEN1
SCHEMBL8874506 0.83 FNTA (0.58) FNTAFNTBKMT2ATACR1MEN1
SCHEMBL8956981 0.82 FNTA (0.62) FNTAFNTBKMT2ATACR1MEN1

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-5508433-A Derivatives of perhydroisoindole and preparation thereof RHONE-POULENC RORER S.A. (FR) 1996-04-16 US disclosed
US-5451601-A Perhydroisoindole derivatives and pharmaceutical compositions containing them RHONE-POULENC RORER S.A. (FR) 1995-09-19 US disclosed