SCHEMBL8664129

SCHEMBL8664129

CCC(c1c[nH]c2ccc(-n3cnnc3)cc12)C1CNCCN1Cc1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.47
HTR1B P28222 18/20 0.47

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
SCHEMBL8662141 0.92 HTR1D (0.47) HTR1DHTR1B
SCHEMBL8662190 0.91 HTR1D (0.48) HTR1DHTR1B
SCHEMBL8660671 0.91 HTR1D (0.41) HTR1DHTR1B
SCHEMBL8665356 0.90 HTR1D (0.50) HTR1DHTR1B
SCHEMBL8663475 0.89 HTR1D (0.51) HTR1DHTR1B
SCHEMBL8662154 0.88 HTR1D (0.49) HTR1DHTR1B
SCHEMBL8662627 0.87 HTR1D (0.48) HTR1DHTR1B
SCHEMBL8662437 0.86 HTR1D (0.39) HTR1DHTR1B
SCHEMBL8662874 0.86 HTR1D (0.46) HTR1DHTR1B
SCHEMBL8658923 0.86 HTR1D (0.49) 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