SCHEMBL8970958

SCHEMBL8970958

COc1ccccc1CC(=O)N1CC2C(F)CCC(c3ccccc3)(c3ccccc3)C2C1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FNTA P49354 7/20 0.71
FNTB P49356 7/20 0.71
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
TACR1 P25103 3/20 0.52
MAPT P10636 2/20 0.52
TSHR P16473 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
SIGMAR1 Q99720 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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 1.00 FNTA (0.71) FNTAFNTBKMT2AMEN1TACR1
SCHEMBL9003093 0.89 FNTA (0.72) FNTAFNTBKMT2AMEN1TACR1
SCHEMBL9003038 0.88 TACR1 (0.65) FNTAFNTBKMT2AMEN1TACR1
SCHEMBL8971328 0.86 TACR1 (0.59) FNTAFNTBKMT2AMEN1TACR1
Hydrochloric Acid SCHEMBL9268749 0.85 TACR1 (0.59) FNTAFNTBKMT2AMEN1TACR1
Hydrochloric Acid SCHEMBL9003020 0.85 TACR1 (0.59) FNTAFNTBKMT2AMEN1TACR1
SCHEMBL9269132 0.84 TACR1 (0.59) FNTAFNTBKMT2AMEN1TACR1
SCHEMBL9270016 0.84 TACR1 (0.59) FNTAFNTBKMT2AMEN1TACR1
SCHEMBL9003180 0.84 FNTA (0.53) FNTAFNTBKMT2AMEN1TACR1
SCHEMBL8971592 0.84 FNTA (0.53) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0586490-B1 DERIVATIVES OF PERHYDROISOINDOL, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE POULENC RORER SA (FR) 1996-03-20 EP claimed
US-5451601-A Perhydroisoindole derivatives and pharmaceutical compositions containing them RHONE-POULENC RORER S.A. (FR) 1995-09-19 US claimed
US-5451601-A Perhydroisoindole derivatives and pharmaceutical compositions containing them RHONE-POULENC RORER S.A. (FR) 1995-09-19 US disclosed