SCHEMBL8788673

SCHEMBL8788673

COc1ccccc1[C@@]1(O)[C@H](O)CC(c2ccccc2)(c2ccccc2)[C@@H]2CN(C(=O)Cc3ccccc3OCc3ccccc3)C[C@@H]21

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FNTA P49354 7/20 0.52
FNTB P49356 7/20 0.52
TACR1 P25103 4/20 0.45
SIGMAR1 Q99720 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALOX15 P16050 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL9139914 1.00 FNTA (0.52) FNTAFNTBTACR1SIGMAR1KMT2A
SCHEMBL9142783 0.92 FNTA (0.60) FNTAFNTBTACR1SIGMAR1KMT2A
SCHEMBL8783447 0.88 FNTA (0.53) FNTAFNTBTACR1SIGMAR1KMT2A
SCHEMBL8956821 0.87 TACR1 (0.61) FNTAFNTBTACR1SIGMAR1KMT2A
SCHEMBL8956879 0.86 FNTA (0.58) FNTAFNTBTACR1SIGMAR1KMT2A
SCHEMBL8894524 0.85 TACR1 (0.51) FNTAFNTBTACR1SIGMAR1KMT2A
SCHEMBL8894203 0.85 TACR1 (0.51) FNTAFNTBTACR1SIGMAR1KMT2A
SCHEMBL8895688 0.85 FNTA (0.51) FNTAFNTBTACR1KMT2AMEN1
SCHEMBL8893745 0.84 FNTA (0.49) FNTAFNTBTACR1KMT2AMEN1
SCHEMBL8894771 0.83 FNTA (0.46) 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 3 patents. 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 claimed
EP-0693059-B1 PERHYDROISOINDOLE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME RHONE POULENC RORER SA (FR) 1997-03-12 EP claimed
US-5631279-A ANTAGONISTS OF NEUROKININ A RHONE-POULENC RORER, S.A. (FR) 1997-05-20 US disclosed