SCHEMBL8893638

SCHEMBL8893638

COc1ccc2[nH]cc(CC(=O)N3CC4C(C3)C(O)(c3ccccc3OC)C(O)CC4(c3ccccc3)c3ccccc3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.46
DRD3 P35462 4/20 0.46
OPRK1 P41145 1/20 0.45
KDM4E B2RXH2 1/20 0.45
FNTA P49354 2/20 0.44
FNTB P49356 2/20 0.44
SIGMAR1 Q99720 1/20 0.43
FAAH O00519 3/20 0.41
TACR1 P25103 1/20 0.40
ICMT O60725 1/20 0.40
DRD4 P21917 2/20 0.40
TRPV1 Q8NER1 2/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
HTR1A P08908 1/20 0.38
HTR1D P28221 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
SCHEMBL8784611 0.92 FNTA (0.46) DRD2DRD3OPRK1KDM4EFNTA
SCHEMBL8895210 0.92 FNTA (0.44) DRD2DRD3OPRK1FNTAFNTB
SCHEMBL8548651 0.91 DRD2 (0.47) DRD2DRD3OPRK1FNTAFNTB
SCHEMBL8783305 0.91 DRD2 (0.47) DRD2DRD3OPRK1FNTAFNTB
SCHEMBL8956646 0.91 DRD2 (0.47) DRD2DRD3OPRK1FNTAFNTB
SCHEMBL8957016 0.88 TACR1 (0.54) DRD2DRD3OPRK1KDM4EFNTA
SCHEMBL9245521 0.88 TACR1 (0.54) DRD2DRD3OPRK1KDM4EFNTA
SCHEMBL9142783 0.84 FNTA (0.60) KDM4EFNTAFNTBSIGMAR1TACR1
SCHEMBL8783447 0.81 FNTA (0.53) KDM4EFNTAFNTBSIGMAR1TACR1
SCHEMBL8895688 0.81 FNTA (0.51) OPRK1KDM4EFNTAFNTBTACR1

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