SCHEMBL7769352

SCHEMBL7769352

CC(C)CCCCC1c2ccccc2-c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.45
HRH1 P35367 4/20 0.39
CHRM2 P08172 2/20 0.39
CHRM1 P11229 2/20 0.39
SLC6A2 P23975 2/20 0.39
ADRA1A P35348 2/20 0.39
DRD3 P35462 2/20 0.39
SLC6A3 Q01959 2/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP2D6 P10635 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
NFKB1 P19838 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2C P28335 1/20 0.39
THPO P40225 1/20 0.39

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
SCHEMBL6027731 0.88 HTR2A (0.48) HTR2AHRH1CHRM2CHRM1SLC6A2
SCHEMBL4215195 0.86 LMNA (0.42) HTR2AHRH1CHRM2CHRM1SLC6A2
SCHEMBL17022715 0.83 HTR2A (0.61) HTR2AHRH1CHRM2CHRM1SLC6A2
SCHEMBL1448601 0.81 HTR2A (0.45) HTR2AHRH1CHRM2CHRM1SLC6A2
SCHEMBL6887079 0.79 HTR2A (0.53) HTR2AHRH1CHRM2CHRM1SLC6A2
SCHEMBL6429164 0.79 HTR2A (0.48) HTR2AACHEBCHE
SCHEMBL7574105 0.79 HTR2A (0.61) HTR2AHRH1CHRM2CHRM1SLC6A2
SCHEMBL877438 0.78 HTR2A (0.56) HTR2AACHEBCHE
SCHEMBL5353138 0.76 HTR2A (0.64) HTR2AHRH1CHRM2CHRM1SLC6A2
SCHEMBL6060915 0.76 HTR2A (0.54) HTR2AACHEBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1105112-A2 COMPOSITIONS AND USES FOR VISION AND MEMORY DISORDERS GPI NIL Holdings, Inc. (US) 2001-06-13 EP disclosed
WO-2000009108-A2 COMPOSITIONS AND USES FOR VISION AND MEMORY DISORDERS GPI NIL HOLDINGS, INC. (US) 2000-02-24 WO disclosed
US-5990131-A OF GIVEN FORMULA WHICH HAVE A HIGH AFFINITY FOR FKBPS (FK506 BINDING PROTEINS, A CLASS OF IMMUNOPHILINS) ARE POTENT ROTAMASE INHIBITORS AND EXHIBIT EXCELLENT NEUROTROPHIC EFFECTS; NO IMMUNOSUPPRESSIVE ACTIVITY GPI NIL HOLDINGS INC. (US) 1999-11-23 US disclosed