SCHEMBL8694459

SCHEMBL8694459

CC(CC1(c2ccc(F)cc2)CN(C)CCN1C1CCNCC1)c1c[nH]c2ccc(-n3cnnc3I)cc12

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 5/20 0.33
HTR1B P28222 5/20 0.33
HTR1A P08908 1/20 0.31
HTR2A P28223 1/20 0.31

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
SCHEMBL8699528 0.89 HTR1D (0.42) HTR1DHTR1BHTR1AHTR2A
SCHEMBL7476071 0.59 HTR1D (0.52) HTR1DHTR1BHTR1AHTR2A
SCHEMBL8693793 0.55 HTR1D (0.53) HTR1DHTR1BHTR1AHTR2A
SCHEMBL8662190 0.54 HTR1D (0.48) HTR1DHTR1B
SCHEMBL8493464 0.53 HTR2A (0.55) HTR2A
SCHEMBL16845861 0.52 KCNH2 (0.44) HTR1A
SCHEMBL30877228 0.52 MPO (0.54) HTR2A
SCHEMBL8257858 0.52 HTR2A (0.50) HTR1AHTR2A
SCHEMBL5232490 0.52 HTR2A (0.65) HTR1AHTR2A
Hydrochloric Acid SCHEMBL16827934 0.51 KCNH2 (0.43) HTR1A

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
US-5808064-A HYDROSILATION OF AN INDOLE AS CHEMICAL INTERMEDIATE MERCK & CO., INC. (US) 1998-09-15 US claimed