SCHEMBL7716779

SCHEMBL7716779

N#Cc1cc(F)ccc1N1CCC(NCC(N)=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 4/20 0.47
MTOR P42345 2/20 0.46
RPTOR Q8N122 2/20 0.46
MLST8 Q9BVC4 2/20 0.46
DPP4 P27487 5/20 0.46
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46
FFAR4 Q5NUL3 1/20 0.43
VCP P55072 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
USP30 Q70CQ3 2/20 0.38
AOC3 Q16853 1/20 0.37
P2RX7 Q99572 1/20 0.36

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
SCHEMBL7715922 0.83 DRD4 (0.47) CHRM4MTORRPTORMLST8DPP4
SCHEMBL7716783 0.82 CHRM4 (0.45) CHRM4MTORRPTORMLST8DPP4
SCHEMBL20141678 0.81 CHRM4 (0.50) CHRM4MTORRPTORMLST8DPP4
SCHEMBL20150022 0.80 HTR1D (0.48) CHRM4MTORRPTORMLST8DPP4
SCHEMBL7711280 0.80 ALDH1A1 (0.44) VCPSMN1; SMN2
SCHEMBL7714679 0.78 CHRM4 (0.49) CHRM4MTORRPTORMLST8DPP4
SCHEMBL7717203 0.76 DRD2 (0.43) CHRM4MTORRPTORMLST8DPP4
Hydrochloric Acid SCHEMBL1514368 0.76 ALDH1A1 (0.52) SMN1; SMN2
SCHEMBL21360337 0.76 CHRM4 (0.43) CHRM4DPP4FFAR4
SCHEMBL21360311 0.75 RET (0.49) CHRM4DPP4

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
US-6376503-B1 TREATMENT OF BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC 2002-04-23 US disclosed