SCHEMBL28037610

SCHEMBL28037610

C[C](C)CN1CC=C(c2c[nH]c3cnccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
LMNA P02545 3/20 0.53
ALOX15 P16050 3/20 0.53
SIGMAR1 Q99720 1/20 0.51
HTR1A P08908 7/20 0.48
DRD2 P14416 6/20 0.48
HTR2A P28223 5/20 0.48
HTT P42858 2/20 0.48
POLB P06746 1/20 0.44
SLC6A4 P31645 1/20 0.44
HTR6 P50406 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GSK3B P49841 1/20 0.43
DYRK1A Q13627 1/20 0.43
HTR1F P30939 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL16801801 0.83 HTR2A (0.47) KDM4ELMNAALOX15HTR1AHTR2A
SCHEMBL14875491 0.79 HTR2A (0.48) KDM4ELMNAALOX15SIGMAR1HTR1A
SCHEMBL27795707 0.77 KDM4E (0.53) KDM4ELMNAALOX15HTR1ADRD2
SCHEMBL27788095 0.77 HTR1F (0.53) KDM4ELMNAALOX15SIGMAR1HTR1A
SCHEMBL18324770 0.76 TDO2 (0.71) KDM4ELMNAALOX15HTR1AHTR2A
SCHEMBL12326386 0.75 GABRP (0.56) HTR6
SCHEMBL31001707 0.75 GABRP (0.56) HTR6
SCHEMBL760604 0.74 HTR2A (0.67) KDM4EALOX15DRD2HTR2AHSD17B10
SCHEMBL18324769 0.74 MAPT (0.47) KDM4ELMNAALOX15HTR1APOLB
SCHEMBL27819451 0.74 HTR1A (0.46) SIGMAR1HTR1ASLC6A4

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
CN-103889983-B Enzyme Inhibitor Compounds PROXIMAGEN LTD. (GB) 2015-12-09 CN disclosed