SCHEMBL7715893

SCHEMBL7715893

Nc1ccccc1N1CCC(NCCNC(=O)Cc2ccc(F)c(F)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 7/20 0.54
SIGMAR1 Q99720 5/20 0.51
LMNA P02545 1/20 0.41
SLC2A1 P11166 1/20 0.41
MCHR1 Q99705 1/20 0.39
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL7715892 0.86 KCNQ2 (0.50) KCNQ2SIGMAR1LMNA
SCHEMBL7715909 0.85 KCNQ2 (0.48) KCNQ2SIGMAR1LMNAMEN1KMT2A
SCHEMBL7716793 0.70 MAPK8 (0.51) KCNQ2SIGMAR1ALDH1A1
SCHEMBL8008257 0.69 SIGMAR1 (0.52) KCNQ2SIGMAR1
SCHEMBL8008253 0.69 SIGMAR1 (0.52) KCNQ2SIGMAR1
SCHEMBL8005302 0.68 KCNQ2 (0.47) KCNQ2SIGMAR1
SCHEMBL8006026 0.68 SIGMAR1 (0.51) KCNQ2SIGMAR1ALDH1A1
SCHEMBL7833553 0.68 SIGMAR1 (0.40) KCNQ2SIGMAR1LMNAMEN1KMT2A
SCHEMBL8005511 0.67 SIGMAR1 (0.50) KCNQ2SIGMAR1LMNAMEN1KMT2A
SCHEMBL8005502 0.67 SIGMAR1 (0.50) KCNQ2SIGMAR1LMNAMEN1KMT2A

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