SCHEMBL7968309

SCHEMBL7968309

N#Cc1ccccc1N1CCC(NCC2CCN(C(=O)N3C(=O)OC[C@@H]3c3ccc(F)c(F)c3)C2)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 11/20 0.40
ADRA1A P35348 11/20 0.40
ADRA1B P35368 11/20 0.40
ADAM17 P78536 1/20 0.38
KDM1A O60341 1/20 0.36
MTOR P42345 4/20 0.35
RPTOR Q8N122 4/20 0.35
MLST8 Q9BVC4 4/20 0.35
USP30 Q70CQ3 1/20 0.34
DPP4 P27487 1/20 0.34
CHRM4 P08173 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
SCHEMBL7968302 1.00 ADRA1D (0.40) ADRA1DADRA1AADRA1BADAM17KDM1A
Trifluoroacetic Acid SCHEMBL7967514 0.92 ADRA1D (0.38) ADRA1DADRA1AADRA1BADAM17KDM1A
SCHEMBL7954985 0.83 ADRA1D (0.39) ADRA1DADRA1AADRA1BADAM17KDM1A
SCHEMBL7954991 0.83 ADRA1D (0.39) ADRA1DADRA1AADRA1BADAM17KDM1A
SCHEMBL13651261 0.80 ADRA1A (0.46) ADRA1DADRA1AADRA1BKDM1A
SCHEMBL7965725 0.78 ADRA1D (0.64) ADRA1DADRA1AADRA1B
SCHEMBL7968307 0.76 ADRA1A (0.39) ADRA1DADRA1AADRA1BADAM17KDM1A
SCHEMBL8129674 0.75 ADRA1A (0.40) ADRA1DADRA1AADRA1BADAM17KDM1A
SCHEMBL7842959 0.74 ADRA1D (0.44) ADRA1DADRA1AADRA1BADAM17KDM1A
SCHEMBL7967658 0.74 ADRA1D (0.65) ADRA1DADRA1AADRA1B

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-6214832-B1 BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2001-04-10 US disclosed