SCHEMBL7310741

SCHEMBL7310741

COCC(CCCCC(=O)[N@@+]1(C(c2ccccc2)c2ccccc2)CCCC1C(N)=O)(c1ccccc1)C(C)C

nearest known ligand 0.30

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.30
CHRM3 P20309 3/20 0.30
LMNA P02545 2/20 0.30
CYP2D6 P10635 2/20 0.30
KCNH2 Q12809 2/20 0.30
CHRM1 P11229 1/20 0.30
HRH1 P35367 1/20 0.30
CYP2C19 P33261 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL7305146 0.92
SCHEMBL7314910 0.85 CACNA1G (0.38) CHRM2CHRM3KCNH2CHRM1
SCHEMBL7315451 0.85 PTGER4 (0.30)
SCHEMBL7317382 0.82
SCHEMBL8083545 0.82 EBP (0.39) CHRM2LMNACYP2D6KCNH2CYP2C19
SCHEMBL7308385 0.82 EBP (0.39) CHRM2LMNACYP2D6KCNH2CYP2C19
SCHEMBL7315081 0.77
SCHEMBL7318716 0.77
SCHEMBL7314199 0.76
SCHEMBL7319271 0.76 SLC22A2 (0.35) KCNH2

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-0805147-A1 Novel N-substituted alpha aminoacid amides as calcium channel modulators LILLY INDUSTRIES LIMITED (GB) 1997-11-05 EP disclosed