SCHEMBL7464981

SCHEMBL7464981

CC(C)(C)OC(=O)N(CC=O)NCC(CCCN1CCC(c2ccccc2F)CC1)(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 9/20 0.41
KCNH2 Q12809 1/20 0.41
OPRL1 P41146 1/20 0.39
CCR2 P41597 1/20 0.39
MCHR1 Q99705 1/20 0.38
DRD4 P21917 1/20 0.36
DRD2 P14416 1/20 0.35
CHRM4 P08173 1/20 0.34
CCR1 P32246 1/20 0.34
CCR3 P51677 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34

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
SCHEMBL7463862 0.95 MCHR1 (0.42) CACNA1GKCNH2OPRL1CCR2MCHR1
SCHEMBL7461089 0.94 CCR3 (0.39) CACNA1GKCNH2OPRL1MCHR1CHRM4
SCHEMBL7461824 0.92 CACNA1G (0.51) CACNA1GKCNH2CCR2MCHR1DRD4
SCHEMBL7466666 0.91 MCHR1 (0.47) CACNA1GOPRL1CCR2MCHR1DRD2
SCHEMBL7460719 0.84 MCHR1 (0.53) CCR2MCHR1DRD2ADRA1DADRA1A
SCHEMBL7463245 0.83 MCHR1 (0.53) CACNA1GKCNH2OPRL1MCHR1CHRM4
Hydrochloric Acid SCHEMBL7465687 0.83 MCHR1 (0.52) CACNA1GKCNH2OPRL1MCHR1CHRM4
SCHEMBL7463962 0.83 MCHR1 (0.47) MCHR1CCR1CCR3
SCHEMBL7464970 0.81 MCHR1 (0.55) CACNA1GKCNH2OPRL1CCR2MCHR1
SCHEMBL7455821 0.78 KDM1A (0.35)

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-1219294-A1 MELANIN CONCENTRATING HORMONE ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP disclosed