SCHEMBL8664620

SCHEMBL8664620

c1cc(-n2cnnc2)ccc1CCN1CCNCC1CCCc1c[nH]c2ccc(-n3cnnc3)cc12

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.61
HTR1B P28222 20/20 0.61

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
SCHEMBL8411443 0.95 HTR1D (0.67) HTR1DHTR1B
SCHEMBL8661963 0.95 HTR1D (0.58) HTR1DHTR1B
SCHEMBL8659333 0.95 HTR1D (0.66) HTR1DHTR1B
SCHEMBL8699649 0.93 HTR1D (0.63) HTR1DHTR1B
SCHEMBL8411686 0.92 HTR1D (0.68) HTR1DHTR1B
SCHEMBL8410888 0.91 HTR1D (0.67) HTR1DHTR1B
SCHEMBL8413944 0.89 HTR1D (0.68) HTR1DHTR1B
SCHEMBL8664204 0.89 HTR1D (0.59) HTR1DHTR1B
SCHEMBL8660431 0.89 HTR1D (0.70) HTR1DHTR1B
SCHEMBL8414668 0.87 HTR1D (0.67) 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
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
US-5807857-A Piperazine, piperidine and tetrahydropyridine derivative of indol-3-alkyl as 5-HT1D-α agonists MERCK SHARP & DOHME LTD. (GB) 1998-09-15 US disclosed