SCHEMBL30749787

SCHEMBL30749787

Cc1c2n(c3ccccc13)CCC2

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.66
HTR2C P28335 4/20 0.66
KDM4E B2RXH2 3/20 0.49
MAPT P10636 1/20 0.49
SIGMAR1 Q99720 2/20 0.48
RECQL P46063 1/20 0.47
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
MCL1 Q07820 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
SCHEMBL1104626 1.00 HTR2A (0.66) HTR2AHTR2CKDM4EMAPTSIGMAR1
SCHEMBL12604657 0.95 HTR2A (0.64) HTR2AHTR2CKDM4EMAPTSIGMAR1
Hydrochloric Acid SCHEMBL6715292 0.78 HTR2A (0.97) HTR2AHTR2CKDM4EMAPTSIGMAR1
SCHEMBL18202164 0.78 HTR2A (0.41) HTR2AHTR2CKDM4EALOX15HSD17B10
SCHEMBL11163387 0.77 HTR2A (0.56) HTR2AHTR2CKDM4EMAPTSIGMAR1
SCHEMBL20080071 0.77 CHRM2 (0.44) HTR2AHTR2CKDM4EMAPTGAA
SCHEMBL19960987 0.77 HTR2A (0.42) HTR2AHTR2CKDM4EMAPTRECQL
SCHEMBL12563374 0.77 HTR2C (0.42) HTR2AHTR2CKDM4EMAPTRECQL
SCHEMBL18202157 0.76 HTR2C (0.41) HTR2AHTR2CSIGMAR1GAAMAPK1
SCHEMBL18202165 0.76 HTR2C (0.41) HTR2AHTR2CALOX15HSD17B10GAA

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-117069726-A Synthesis method of [1,2-a ] indole polycyclic derivative 兰州大学 2023-11-17 CN disclosed