SCHEMBL7707368

SCHEMBL7707368

O=C(NCC1CN(C2CCC(c3ccccn3)CC2)C1)N1C(=O)Nc2ccccc2C1c1ccc(F)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 19/20 0.49
ADRA1D P25100 17/20 0.49
ADRA1B P35368 17/20 0.49
CCRL2 O00421 1/20 0.35
CCR2 P41597 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL7707909 0.86 ADRA1D (0.51) ADRA1AADRA1DADRA1B
SCHEMBL7707913 0.86 ADRA1D (0.51) ADRA1AADRA1DADRA1B
SCHEMBL7967692 0.84 ADRA1A (0.71) ADRA1AADRA1DADRA1B
SCHEMBL7707363 0.83 ADRA1A (0.46) ADRA1AADRA1DADRA1BCCRL2CCR2
SCHEMBL7707365 0.83 ADRA1A (0.46) ADRA1AADRA1DADRA1BCCRL2CCR2
Hydrochloric Acid SCHEMBL7967690 0.83 ADRA1A (0.70) ADRA1AADRA1DADRA1B
SCHEMBL7971286 0.77 ADRA1A (0.37) ADRA1AADRA1DADRA1B
SCHEMBL7166525 0.77 ADRA1A (0.37) ADRA1AADRA1DADRA1B
SCHEMBL7971283 0.74 ADRA1A (0.38) ADRA1AADRA1DADRA1B
SCHEMBL7078488 0.73 ADRA1A (0.81) ADRA1AADRA1DADRA1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6358959-B1 FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2002-03-19 US claimed
US-6358959-B1 FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2002-03-19 US disclosed