SCHEMBL161032

SCHEMBL161032

O=C([CH]CC(c1ccccc1)c1ccccc1)C(Cl)(c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.51
CNR2 P34972 3/20 0.51
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.41
TACR1 P25103 4/20 0.38
LMNA P02545 2/20 0.35
CYP2D6 P10635 1/20 0.34
SRC P12931 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
EPHX1 P07099 1/20 0.34
EPHX2 P34913 1/20 0.34
MAPK1 P28482 1/20 0.33

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
SCHEMBL8669010 0.71 CYP2C19 (0.44) CYP1A2CYP2C19LMNACYP2D6SRC
SCHEMBL41202 0.67 CYP1A2 (1.00) CNR1CNR2CYP1A2CYP2C19CYP2D6
SCHEMBL27835792 0.67 CYP1A2 (0.73) CNR1CNR2CYP1A2CYP2C19CYP2D6
SCHEMBL11842568 0.65 CYP1A2 (0.70) CNR1CNR2CYP1A2CYP2C19CYP2D6
SCHEMBL1321231 0.65 CYP1A2 (0.70) CNR1CNR2CYP1A2CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL8724939 0.65 CYP1A2 (0.95) CNR1CNR2CYP1A2CYP2C19CYP2D6
SCHEMBL14655085 0.64 CYP1A2 (0.67) CNR1CNR2CYP1A2CYP2C19CYP2D6
SCHEMBL22616416 0.64 CYP1A2 (0.67) CNR1CNR2CYP1A2CYP2C19CYP2D6
SCHEMBL3144362 0.63 HCAR2 (0.44) CYP2C19LMNACYP2D6SRCALDH1A1
SCHEMBL7239259 0.63 HCAR2 (0.44) CYP2C19LMNACYP2D6SRCALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11072793-B2 DsRNA molecules comprising oligonucleotide analogs having modified intersubunit linkages and/or terminal groups SAREPTA THERAPEUTICS, INC. (US) 2021-07-27 US disclosed
US-20190169611-A1 dsRNA MOLECULES COMPRISING OLIGONUCLEOTIDE ANALOGS HAVING MODIFIED INTERSUBUNIT LINKAGES AND/OR TERMINAL GROUPS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2019-06-06 US disclosed
US-10017763-B2 dsRNA molecules comprising oligonucleotide analogs having modified intersubunit linkages and/or terminal groups SAREPTA THERAPEUTICS, INC. (US) 2018-07-10 US disclosed
US-20130288369-A1 dsRNA MOLECULES COMPRISING OLIGONUCLEOTIDE ANALOGS HAVING MODIFIED INTERSUBUNIT LINKAGES AND/OR TERMINAL GROUPS SAREPTA THERAPEUTICS, INC. (US) 2013-10-31 US disclosed
WO-2012031243-A2 dsRNA MOLECULES COMPRISING OLIGONUCLEOTIDE ANALOGS HAVING MODIFIED INTERSUBUNIT LINKAGES AND/OR TERMINAL GROUPS AVI BIOPHARMA, INC. (US) 2012-03-08 WO disclosed