SCHEMBL9582178

SCHEMBL9582178

NC(=O)c1ccc2c(CSCCN3CCCC(c4ccc(O)cc4)C3)c[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 2/20 0.38
▸ HTR1B P28222 2/20 0.38
▸ HRH3 Q9Y5N1 4/20 0.36
▸ HTR1A P08908 1/20 0.34

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
SCHEMBL9581355 0.93 HTR7 (0.42) HTR1DHTR1BHTR1A
SCHEMBL9582397 0.91 DRD3 (0.47) HTR1DHTR1BHTR1A
SCHEMBL9582120 0.90 HTR1D (0.42) HTR1DHTR1B
SCHEMBL9582549 0.86 ADRA2A (0.46) —
SCHEMBL9581681 0.84 SIGMAR1 (0.47) —
SCHEMBL9582584 0.83 HTR7 (0.47) HTR1DHTR1BHTR1A
SCHEMBL9582467 0.82 DRD2 (0.47) HTR1DHTR1B
SCHEMBL9581342 0.82 HTR1B (0.33) HTR1DHTR1BHRH3HTR1A
SCHEMBL9582464 0.81 DRD2 (0.44) HTR1DHTR1BHTR1A
SCHEMBL9582778 0.79 ADRA2A (0.54) —

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-5256673-A Indole-3-yl-A-tetrahydropyridyl or piperidyl compounds MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-10-26 — — US disclosed
EP-0144012-B1 INDOLE DERIVATIVES MERCK PATENT GmbH (DE) 1988-03-16 — — EP disclosed
EP-0144012-A1 Indole derivatives MERCK PATENT GmbH (DE) 1985-06-12 — — EP disclosed
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