SCHEMBL4332345

SCHEMBL4332345

CCc1nc2c(C)cc(C)nc2n1Cc1ccc(/C=C/CN2CCN(C(CC)CC)CC2)cc1.CCc1nc2c(C)cc(C)nc2n1Cc1ccc(/C=C/CN2CCN(CCC(C)C)CC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR4 P46093 11/20 0.78
KCNH2 Q12809 3/20 0.78
HRH3 Q9Y5N1 3/20 0.78

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
SCHEMBL4332351 1.00 GPR4 (0.78) GPR4KCNH2HRH3
SCHEMBL4365527 0.94 GPR4 (0.81) GPR4KCNH2HRH3
SCHEMBL4365521 0.94 GPR4 (0.81) GPR4KCNH2HRH3
Hydrochloric Acid SCHEMBL4323632 0.94 GPR4 (0.79) GPR4KCNH2HRH3
Hydrochloric Acid SCHEMBL4323628 0.94 GPR4 (0.79) GPR4KCNH2HRH3
SCHEMBL4371858 0.94 GPR4 (0.85) GPR4KCNH2HRH3
SCHEMBL4371852 0.94 GPR4 (0.85) GPR4KCNH2HRH3
Hydrochloric Acid SCHEMBL4336803 0.93 GPR4 (0.84) GPR4KCNH2HRH3
Hydrochloric Acid SCHEMBL4336797 0.93 GPR4 (0.84) GPR4KCNH2HRH3
SCHEMBL4335071 0.88 GPR4 (0.87) GPR4KCNH2HRH3

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
WO-2009144201-A1 IMIDAZOPYRIDINE DERIVATIVES AS GPR4 RECEPTOR MODULATORS NOVARTIS AG (CH) 2009-12-03 WO disclosed