SCHEMBL7476071

SCHEMBL7476071

CC(CN1CCC(N2CCN(C)CC2c2ccc(F)cc2)CC1)c1c[nH]c2ccc(-n3cnnc3)cc12

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.52
HTR1B P28222 18/20 0.52
HTR1A P08908 1/20 0.44
HTR2A P28223 1/20 0.44

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
SCHEMBL8185801 0.84 HTR1D (0.68) HTR1DHTR1BHTR1AHTR2A
SCHEMBL7479279 0.76 HTR1D (0.79) HTR1DHTR1B
SCHEMBL8699524 0.74 HTR1D (0.51) HTR1DHTR1BHTR1AHTR2A
SCHEMBL7483896 0.72 HTR1D (0.62) HTR1DHTR1BHTR1AHTR2A
SCHEMBL8427579 0.70 HTR1D (0.69) HTR1DHTR1BHTR1AHTR2A
SCHEMBL8427576 0.70 HTR1D (0.69) HTR1DHTR1BHTR1AHTR2A
SCHEMBL8699528 0.70 HTR1D (0.42) HTR1DHTR1BHTR1AHTR2A
SCHEMBL8697124 0.69 HTR1D (0.42) HTR1DHTR1BHTR1AHTR2A
SCHEMBL8474241 0.69 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8471754 0.69 HTR1D (1.00) HTR1DHTR1B

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-0925302-B1 PALLADIUM CATALYZED INDOLIZATION MERCK & CO INC (US) 2002-11-20 EP claimed
EP-0925302-B1 PALLADIUM CATALYZED INDOLIZATION MERCK & CO INC (US) 2002-11-20 EP disclosed
US-5808064-A HYDROSILATION OF AN INDOLE AS CHEMICAL INTERMEDIATE MERCK & CO., INC. (US) 1998-09-15 US disclosed