SCHEMBL23940696

SCHEMBL23940696

CC(CN)C1CCc2cc(F)ccc2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
OPRK1 P41145 4/20 0.36
OPRM1 P35372 3/20 0.36
OPRL1 P41146 2/20 0.36
PRMT5 O14744 1/20 0.35
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
SLC6A4 P31645 2/20 0.35
KCNH2 Q12809 3/20 0.34
HTR2C P28335 2/20 0.34
MCHR1 Q99705 2/20 0.34
DPP4 P27487 4/20 0.34
DPP8 Q6V1X1 4/20 0.34
DPP9 Q86TI2 4/20 0.34
MLNR O43193 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
HTR1A P08908 1/20 0.34

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
SCHEMBL20006770 0.87 HTR1D (0.52) HTR1DHTR1BOPRK1OPRM1OPRL1
SCHEMBL23940661 0.85 HTR1D (0.48) HTR1DHTR1BOPRK1OPRM1OPRL1
SCHEMBL24317059 0.83 HTR1D (0.49) HTR1DHTR1BOPRK1OPRM1OPRL1
SCHEMBL20006885 0.77 HTR1D (0.51) HTR1DHTR1BOPRK1OPRM1PRMT5
SCHEMBL20006880 0.76 HTR1D (0.45) HTR1DHTR1BOPRK1OPRM1OPRL1
SCHEMBL20006982 0.75 HTR1D (0.49) HTR1DHTR1BOPRK1OPRM1PRMT5
SCHEMBL13533180 0.72 SLC6A4 (0.43) HTR1DHTR1BOPRK1OPRM1OPRL1
SCHEMBL14069704 0.71 HTR1A (0.59) HTR1DHTR1BOPRK1OPRM1ADRA2A
SCHEMBL7273416 0.71 HTR1D (0.40) HTR1DHTR1BOPRK1OPRM1PRMT5
SCHEMBL6950353 0.71 OPRK1 (0.62) HTR1DHTR1BOPRK1DRD2DRD3

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
EP-3299364-B1 NEBIVOLOL SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF ZHEJIANG AUSUN PHARMACEUTICAL CO LTD (CN) 2021-10-20 EP disclosed