SCHEMBL8895210

SCHEMBL8895210

COc1ccccc1C1(O)C(O)CC(c2ccccc2)(c2ccccc2)C2CN(C(=O)Cc3c[nH]c4ccc(F)cc34)CC21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.44
FNTB P49356 5/20 0.44
TACR1 P25103 1/20 0.41
TSHR P16473 1/20 0.41
OPRK1 P41145 1/20 0.40
ICMT O60725 1/20 0.40
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
SLC6A4 P31645 2/20 0.38
HSD11B1 P28845 1/20 0.38
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
KCNH2 Q12809 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL8893638 0.92 DRD2 (0.46) FNTAFNTBTACR1OPRK1ICMT
SCHEMBL8784611 0.92 FNTA (0.46) FNTAFNTBTACR1TSHROPRK1
SCHEMBL8783305 0.91 DRD2 (0.47) FNTAFNTBTACR1OPRK1DRD2
SCHEMBL8956646 0.91 DRD2 (0.47) FNTAFNTBTACR1OPRK1DRD2
SCHEMBL8548651 0.91 DRD2 (0.47) FNTAFNTBTACR1OPRK1DRD2
SCHEMBL8956827 0.88 TACR1 (0.55) FNTAFNTBTACR1TSHROPRK1
SCHEMBL9243104 0.88 TACR1 (0.55) FNTAFNTBTACR1TSHROPRK1
SCHEMBL9142783 0.84 FNTA (0.60) FNTAFNTBTACR1TSHRMEN1
SCHEMBL9245521 0.81 TACR1 (0.54) FNTAFNTBTACR1OPRK1ICMT
SCHEMBL8957016 0.81 TACR1 (0.54) FNTAFNTBTACR1OPRK1ICMT

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