SCHEMBL7952995

SCHEMBL7952995

O=C(NCC1CCN(CCCS(=O)(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)CC1)c1cccc2c1OCCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 20/20 1.00

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
SCHEMBL7954585 0.96 HTR4 (1.00) HTR4
SCHEMBL7952197 0.92 HTR4 (1.00) HTR4
SCHEMBL7944045 0.91 HTR4 (1.00) HTR4
SCHEMBL7952718 0.91 HTR4 (1.00) HTR4
SCHEMBL7950680 0.90 HTR4 (1.00) HTR4
SCHEMBL7943943 0.90 HTR4 (1.00) HTR4
SCHEMBL7952854 0.90 HTR4 (1.00) HTR4
SCHEMBL7943948 0.89 HTR4 (1.00) HTR4
SCHEMBL13944343 0.89 HTR4 (0.83) HTR4
SCHEMBL7950961 0.89 HTR4 (1.00) HTR4

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-6172062-B1 ANTISEROTONIN AGENTS; GASTROINTESTINAL DISORDERS; CARDIOVASCULAR DISORDERS; NERVOUS SYSTEM DISORDERS SYNTEX (USA) LLC 2001-01-09 US disclosed