SCHEMBL6952188

SCHEMBL6952188

Nc1[nH]c(=O)c(C(=O)NCC2CCN(CCO)CC2)cc1Cl.OCCI

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 12/20 0.45
CACNA1I Q9P0X4 3/20 0.43
KCNH2 Q12809 3/20 0.43

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
SCHEMBL6327508 0.96 HTR4 (0.47) HTR4CACNA1IKCNH2
SCHEMBL6335673 0.87 HTR4 (0.49) HTR4CACNA1IKCNH2
SCHEMBL14258189 0.85 NR4A2 (0.53) HTR4
SCHEMBL6331443 0.85 HTR4 (0.48) HTR4CACNA1IKCNH2
SCHEMBL6329736 0.84 KCNH2 (0.49) HTR4CACNA1IKCNH2
Hydrochloric Acid SCHEMBL6326593 0.84 NR4A2 (0.52) HTR4
SCHEMBL6329265 0.84 HTR4 (0.46) HTR4CACNA1IKCNH2
SCHEMBL6328884 0.84 CACNA1I (0.53) HTR4CACNA1IKCNH2
SCHEMBL6331058 0.84 GSK3B (0.47) HTR4CACNA1IKCNH2
N-Propyl Bromide SCHEMBL7255030 0.83 HTR4 (0.46) HTR4CACNA1IKCNH2

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-1325921-A2 Oxo or oxy-pyridine compounds as 5-HT4 receptor modulators Pfizer Inc. (US) 2003-07-09 EP disclosed