SCHEMBL7996589

SCHEMBL7996589

COC(=O)C1=C(CBr)NC(=O)N(N(C=O)CCNC2CCC(C#N)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 19/20 0.51
ADRA1A P35348 19/20 0.51
ADRA1B P35368 19/20 0.51
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL7993242 0.94 ADRA1D (0.52) ADRA1DADRA1AADRA1BMEN1KMT2A
SCHEMBL7996583 0.93 ADRA1D (0.59) ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7944430 0.93 ADRA1D (0.58) ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7952765 0.93 ADRA1D (0.58) ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7952658 0.91 ADRA1D (0.57) ADRA1DADRA1AADRA1B
SCHEMBL7978685 0.89 ADRA1A (0.53) ADRA1DADRA1AADRA1B
SCHEMBL7989879 0.88 ADRA1A (0.55) ADRA1DADRA1AADRA1BMEN1KMT2A
Hydrochloric Acid SCHEMBL7958027 0.87 ADRA1D (0.58) ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7953225 0.84 ADRA1D (0.49) ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7955184 0.84 ADRA1A (0.51) 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-6228861-B1 BENIGN PROSTATIC HYPERPLASIA; ANTICHOLESTEROL AGENTS; IMPOTENCY; INTRAOCULAR PRESSURE; ANTIARRHYTHMIA AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-05-08 US disclosed