SCHEMBL7308732

SCHEMBL7308732

C=CCCCCC(OCOC)(c1ccccc1)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 4/20 0.32
CHRM2 P08172 2/20 0.32
CHRM1 P11229 2/20 0.32
KCNH2 Q12809 3/20 0.31
KIF11 P52732 1/20 0.31
MRGPRX2 Q96LB1 1/20 0.30
HRH2 P25021 1/20 0.30
HTR2A P28223 1/20 0.30
ADRA1A P35348 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 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
SCHEMBL7310042 0.82 FAAH (0.32) CHRM3CHRM2CHRM1
SCHEMBL7313602 0.79 KCNH2 (0.37) CHRM3KCNH2KIF11MRGPRX2HRH2
SCHEMBL7316634 0.72 ALDH1A1 (0.39) CHRM3CHRM2CHRM1
SCHEMBL7309814 0.71 ALDH1A1 (0.38) CHRM3CHRM2CHRM1KCNH2KIF11
SCHEMBL7304839 0.70 CACNA1G (0.44) KCNH2
SCHEMBL8837042 0.70 LMNA (0.36) CHRM3CHRM2CHRM1KCNH2KIF11
SCHEMBL7307228 0.70 EBP (0.55) CHRM3CHRM2CHRM1KCNH2HRH2
SCHEMBL7309620 0.70 TAAR1 (0.36) CHRM3CHRM2CHRM1KCNH2KIF11
SCHEMBL7307357 0.69 ALDH1A1 (0.42) CHRM3KCNH2KIF11MRGPRX2HRH2
SCHEMBL7317285 0.69 CHRM3 (0.33) CHRM3CHRM2CHRM1

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
EP-1041064-A2 N-substituted alpha aminoacid amides as calcium channel modulators ELI LILLY AND COMPANY LIMITED (GB) 2000-10-04 EP disclosed
EP-0805147-A1 Novel N-substituted alpha aminoacid amides as calcium channel modulators LILLY INDUSTRIES LIMITED (GB) 1997-11-05 EP disclosed