SCHEMBL16433621

SCHEMBL16433621

CCCOc1cc(C)ccc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.50
ADRA1D P25100 4/20 0.50
ADRA1A P35348 4/20 0.50
ADRA1B P35368 4/20 0.50
C5AR1 P21730 1/20 0.49
L3MBTL1 Q9Y468 7/20 0.49
MAPT P10636 6/20 0.49
RAB9A P51151 5/20 0.49
ATM Q13315 1/20 0.49
TDP1 Q9NUW8 2/20 0.49
MAPK1 P28482 1/20 0.49
KDM4E B2RXH2 2/20 0.48
PTGER1 P34995 1/20 0.46
PTGER4 P35408 1/20 0.46
PTGER3 P43115 1/20 0.46
PTGER2 P43116 1/20 0.46
MRGPRX4 Q96LA9 2/20 0.46
HPGD P15428 5/20 0.46
NPC1 O15118 4/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL686650 0.90 MAPT (0.58) C5AR1L3MBTL1MAPTRAB9AATM
SCHEMBL12584881 0.87 KDM4E (0.57) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL17367260 0.86 L3MBTL1 (0.51) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL18715976 0.85 L3MBTL1 (0.52) HTR1AADRA1DADRA1AADRA1BC5AR1
SCHEMBL13433963 0.85 L3MBTL1 (0.52) HTR1AADRA1DADRA1AADRA1BC5AR1
SCHEMBL15922822 0.85 HTR1A (0.65) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL3032513 0.85 MAPT (0.54) L3MBTL1MAPTRAB9AATMTDP1
SCHEMBL10801528 0.84 C5AR1 (0.52) HTR1AADRA1DADRA1AADRA1BC5AR1
SCHEMBL827943 0.82 SMPD1 (0.57) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL171847 0.82 NPC1 (0.58) HTR1AADRA1DADRA1AADRA1BL3MBTL1

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-RE45364-E1 Cyclic amine compound and pest control agent NIPPON SODA CO., LTD. (JP) 2015-02-03 US disclosed