SCHEMBL7212013

SCHEMBL7212013

NC(=O)C1(c2ccc(Cl)cc2)CCN(CCCNC(=O)N2C(=O)OCC2c2ccc(F)c(F)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 20/20 0.55
ADRA1B P35368 20/20 0.55
ADRA1D P25100 19/20 0.55
OPRM1 P35372 1/20 0.51
HRH1 P35367 1/20 0.45

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
SCHEMBL7213199 0.86 ADRA1A (0.63) ADRA1AADRA1BADRA1DHRH1
SCHEMBL7213122 0.81 ADRA1A (0.59) ADRA1AADRA1BADRA1DHRH1
SCHEMBL7212032 0.80 ADRA1A (0.54) ADRA1AADRA1BADRA1DHRH1
SCHEMBL7747425 0.80 ADRA1A (0.49) ADRA1AADRA1BADRA1DHRH1
SCHEMBL7747511 0.78 ADRA1A (0.57) ADRA1AADRA1BADRA1DHRH1
SCHEMBL7747513 0.78 ADRA1A (0.57) ADRA1AADRA1BADRA1DHRH1
SCHEMBL7748916 0.78 ADRA1A (0.67) ADRA1AADRA1BADRA1DOPRM1
SCHEMBL7748912 0.78 ADRA1A (0.67) ADRA1AADRA1BADRA1DOPRM1
SCHEMBL7218274 0.76 ADRA1A (0.57) ADRA1AADRA1BADRA1DHRH1
SCHEMBL6961423 0.75 DRD2 (0.43) ADRA1AADRA1BADRA1DOPRM1HRH1

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-6620815-B1 Selective antagonists for human alpha 1A receptors; benign prostatic hyperplasia, impotency, cardiac arrhythmia treatment; anticholesterol agents; intraocular pressure reduction SYNAPTIC PHARMACEUTICAL CORPORATION 2003-09-16 US disclosed
US-6159990-A Oxazolidinones as α1A receptor antagonists SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-12-12 US disclosed