SCHEMBL7217049

SCHEMBL7217049

N#CC1(c2ccccc2)CCN(C2CCN(C(=O)N3C(=O)NCC3c3ccc(F)c(F)c3)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 15/20 0.51
ADRA1A P35348 15/20 0.51
ADRA1B P35368 15/20 0.51
ALDH1A1 P00352 2/20 0.42
CYP2D6 P10635 1/20 0.42
CCR1 P32246 1/20 0.41
HRH1 P35367 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
SCHEMBL6965725 0.80 ADRA1D (0.44) ADRA1DADRA1AADRA1BALDH1A1CYP2D6
SCHEMBL7216965 0.75 ADRA1A (0.57) ADRA1DADRA1AADRA1BHRH1
SCHEMBL7084868 0.75 ADRA1A (0.57) ADRA1DADRA1AADRA1BHRH1
SCHEMBL8063243 0.74 ADRA1D (0.44) ADRA1DADRA1AADRA1BHRH1
SCHEMBL13654981 0.67 OPRM1 (0.54) ALDH1A1CYP2D6CCR1
SCHEMBL6967188 0.66 OPRM1 (0.50) ALDH1A1CYP2D6CCR1
SCHEMBL8138891 0.66 ADRA1D (0.42) ADRA1DADRA1AADRA1BCYP2D6HRH1
SCHEMBL23778282 0.64 CYP2D6 (0.53) ALDH1A1CYP2D6CCR1
SCHEMBL11121459 0.64 CYP2D6 (0.70) ALDH1A1CYP2D6CCR1
SCHEMBL5473543 0.64 KMT2A (0.60) ALDH1A1CYP2D6CCR1

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