SCHEMBL7715892

SCHEMBL7715892

N#Cc1ccccc1N1CCC(NCCNC(=O)Cc2ccc(F)c(F)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 1/20 0.50
SIGMAR1 Q99720 2/20 0.49
CHRM4 P08173 3/20 0.43
METAP2 P50579 1/20 0.41
LMNA P02545 1/20 0.40
DPP4 P27487 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
DRD2 P14416 3/20 0.40
DRD4 P21917 3/20 0.40
DRD3 P35462 2/20 0.40
MTOR P42345 2/20 0.40
RPTOR Q8N122 2/20 0.40
MLST8 Q9BVC4 2/20 0.40
ADRB1 P08588 1/20 0.40
CHRM2 P08172 1/20 0.39

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
SCHEMBL7715893 0.86 KCNQ2 (0.54) KCNQ2SIGMAR1LMNA
SCHEMBL7715909 0.83 KCNQ2 (0.48) KCNQ2SIGMAR1LMNAADRA1DADRA1A
SCHEMBL8008253 0.82 SIGMAR1 (0.52) KCNQ2SIGMAR1DPP4ADRA1DADRA1A
SCHEMBL8008257 0.82 SIGMAR1 (0.52) KCNQ2SIGMAR1DPP4ADRA1DADRA1A
SCHEMBL8006026 0.82 SIGMAR1 (0.51) KCNQ2SIGMAR1CHRM4METAP2DPP4
SCHEMBL8005302 0.81 KCNQ2 (0.47) KCNQ2SIGMAR1CHRM4METAP2DPP4
SCHEMBL7844417 0.79 KCNQ2 (0.46) KCNQ2SIGMAR1CHRM4METAP2DPP4
SCHEMBL7714987 0.74 KDM4E (0.44) CHRM4DRD2DRD4DRD3
SCHEMBL7711219 0.74 DRD2 (0.48) CHRM4DRD2DRD4DRD3
SCHEMBL13651261 0.71 ADRA1A (0.46) ADRA1DADRA1AADRA1BCHRM2

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