SCHEMBL8697997

SCHEMBL8697997

O=C(CC(CCc1c[nH]c2ccc(-n3cnnc3)cc12)C1CCNCC1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.50
HTR1B P28222 20/20 0.50
HTR1A P08908 1/20 0.48
HTR2A P28223 1/20 0.48

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
SCHEMBL8699396 0.86 HTR1D (0.59) HTR1DHTR1BHTR1AHTR2A
SCHEMBL8694436 0.85 HTR1D (0.56) HTR1DHTR1BHTR1AHTR2A
SCHEMBL8697432 0.83 HTR1D (0.61) HTR1DHTR1BHTR1AHTR2A
SCHEMBL8696871 0.82 HTR1D (0.61) HTR1DHTR1B
SCHEMBL8697511 0.82 HTR1D (0.58) HTR1DHTR1B
SCHEMBL8693604 0.81 HTR1D (0.54) HTR1DHTR1B
SCHEMBL8695067 0.80 HTR1D (0.55) HTR1DHTR1B
SCHEMBL8699469 0.80 HTR1D (0.54) HTR1DHTR1B
SCHEMBL8693132 0.79 HTR1D (0.61) HTR1DHTR1BHTR2A
SCHEMBL8694447 0.78 HTR1D (0.60) HTR1DHTR1BHTR2A

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