SCHEMBL6178972

SCHEMBL6178972

CCCCN1CCC(CNC(=O)c2cccn3cc(-c4ccccc4)nc23)CC1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 11/20 0.61
DHODH Q02127 1/20 0.48
HTR2A P28223 1/20 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
SCHEMBL6175791 0.84 HTR4 (0.49) HTR4
SCHEMBL6177813 0.80 KCNH2 (0.58) HTR4
Hydrochloric Acid SCHEMBL6761914 0.79 KCNH2 (0.57) HTR4
SCHEMBL5338077 0.76 HTR4 (0.52) HTR4DHODH
SCHEMBL13579094 0.75 DHODH (0.56) HTR4DHODHHTR2A
SCHEMBL5077332 0.72 AURKA (0.58) DHODHHTR2A
SCHEMBL6175694 0.72 NR4A2 (0.49) HTR4
SCHEMBL6176072 0.72 KCNH2 (0.52) HTR4
SCHEMBL7348053 0.72 HTR3A (0.51) HTR4
SCHEMBL5074071 0.71 PARP1 (0.48) 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
EP-1440071-B1 IMIDAZOPYRIDINE COMPOUNDS AS 5-HT 4? RECEPTOR MODULATORS PFIZER (US) 2005-10-26 EP disclosed