SCHEMBL8895688

SCHEMBL8895688

COc1ccccc1C1(O)C(O)CC(c2ccccc2)(c2ccccc2)C2CN(C(=O)Cc3cccc4ccccc34)CC21

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FNTA P49354 6/20 0.51
FNTB P49356 6/20 0.51
TACR1 P25103 3/20 0.46
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
KDM4E B2RXH2 1/20 0.44
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPK1 P28482 1/20 0.41
GRIN2B Q13224 1/20 0.39

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 0.91 FNTA (0.60) FNTAFNTBTACR1KDM4EKMT2A
SCHEMBL8783447 0.89 FNTA (0.53) FNTAFNTBTACR1KDM4EKMT2A
SCHEMBL8894524 0.86 TACR1 (0.51) FNTAFNTBTACR1KDM4EKMT2A
SCHEMBL8894203 0.86 TACR1 (0.51) FNTAFNTBTACR1KDM4EKMT2A
SCHEMBL8956777 0.86 TACR1 (0.63) FNTAFNTBTACR1OPRD1OPRK1
SCHEMBL8956646 0.86 DRD2 (0.47) FNTAFNTBTACR1OPRK1KMT2A
SCHEMBL8548651 0.86 DRD2 (0.47) FNTAFNTBTACR1OPRK1KMT2A
SCHEMBL8783305 0.86 DRD2 (0.47) FNTAFNTBTACR1OPRK1KMT2A
SCHEMBL8895108 0.86 FNTA (0.49) FNTAFNTBTACR1KDM4EKMT2A
SCHEMBL9139914 0.85 FNTA (0.52) FNTAFNTBTACR1KDM4EL3MBTL1

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