SCHEMBL7016982

SCHEMBL7016982

CC(C)[Si](C(C)C)(C(C)C)n1cc(C2CCN(C)CC2)c2cc(-c3cc4ccccc4s3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
DRD2 P14416 14/20 0.42
HTR1B P28222 1/20 0.38
HTR6 P50406 1/20 0.38
VCP P55072 1/20 0.38
HTR2A P28223 1/20 0.37
FAAH O00519 1/20 0.36
SLC6A4 P31645 1/20 0.35
NTRK1 P04629 1/20 0.35
FLT3 P36888 1/20 0.35
NTRK3 Q16288 1/20 0.35
NTRK2 Q16620 1/20 0.35
PFKFB3 Q16875 1/20 0.34

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
SCHEMBL7710645 0.83 DRD2 (0.54) DRD2HTR1BHTR6HTR2A
SCHEMBL7016909 0.78 DRD2 (0.53) DRD2HTR1BHTR6HTR2ASLC6A4
SCHEMBL7019936 0.77 HTR6 (0.41) DRD2HTR6HTR2ASLC6A4
SCHEMBL7018674 0.76 DRD2 (0.51) DRD2HTR1BHTR6HTR2A
SCHEMBL6642794 0.75 DRD2 (0.43) DRD2HTR1BHTR6HTR2ASLC6A4
SCHEMBL7017248 0.74 HTR1D (0.55) HTR1BHTR6
SCHEMBL8182800 0.72 DRD2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12128118 0.71 APP (0.46) DRD2HTR1BHTR6
SCHEMBL8189062 0.70 DRD2 (0.36) DRD2HTR1BHTR6HTR2ASLC6A4
SCHEMBL8189063 0.70 DRD2 (0.36) DRD2HTR1BHTR6HTR2ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1089993-B1 5-HT1F AGONISTS LILLY CO ELI (US) 2003-10-22 EP disclosed
US-6358972-B1 FOR THERAPY OF MIGRAINE ELI LILLY AND COMPANY 2002-03-19 US disclosed
EP-1089993-A1 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2001-04-11 EP disclosed
WO-2000000487-A1 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2000-01-06 WO disclosed