SCHEMBL6306544

SCHEMBL6306544

CCc1cn2c(N)c(Cl)cc(C(=O)NCC3CCN(C(O)C(C)C)CC3)c2n1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.61
HTR4 Q13639 13/20 0.56
HTR3A P46098 1/20 0.56
CACNA1I Q9P0X4 1/20 0.38

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
SCHEMBL7240727 0.86 KCNH2 (0.60) KCNH2HTR4HTR3A
SCHEMBL6247389 0.85 KCNH2 (0.68) KCNH2HTR4HTR3ACACNA1I
SCHEMBL8345408 0.85 KCNH2 (0.68) KCNH2HTR4HTR3A
SCHEMBL6314559 0.84 KCNH2 (0.64) KCNH2HTR4HTR3ACACNA1I
SCHEMBL6246866 0.84 KCNH2 (0.61) KCNH2HTR4HTR3ACACNA1I
SCHEMBL5779209 0.84 HTR4 (0.79) KCNH2HTR4HTR3A
SCHEMBL6767167 0.83 KCNH2 (0.62) KCNH2HTR4HTR3A
SCHEMBL5889899 0.83 KCNH2 (0.62) KCNH2HTR4HTR3ACACNA1I
Oxalic Acid SCHEMBL6276898 0.83 KCNH2 (0.65) KCNH2HTR4HTR3ACACNA1I
SCHEMBL6306539 0.83 KCNH2 (0.61) KCNH2HTR4HTR3ACACNA1I

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951867-B2 N-substituted piperidinyl-imidazopyridine compounds as 5-HT4 receptor modulators PFIZER INC. (US) 2005-10-04 US claimed
US-6951867-B2 N-substituted piperidinyl-imidazopyridine compounds as 5-HT4 receptor modulators PFIZER INC. (US) 2005-10-04 US disclosed