SCHEMBL7962040

SCHEMBL7962040

C[C@H]1CNC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H]1c1ccc(F)c(F)c1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 19/20 0.72
ADRA1B P35368 16/20 0.72
ADRA1D P25100 15/20 0.72
HRH1 P35367 3/20 0.72
ADRA2A P08913 2/20 0.59
ADRA2B P18089 2/20 0.59
ADRA2C P18825 2/20 0.59
MCHR1 Q99705 2/20 0.47
DRD2 P14416 1/20 0.47

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
SCHEMBL7966480 1.00 ADRA1A (0.72) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7952365 1.00 ADRA1A (0.72) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7952342 1.00 ADRA1A (0.72) ADRA1AADRA1BADRA1DHRH1ADRA2A
Hydrochloric Acid SCHEMBL7961675 0.99 ADRA1A (0.71) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7961299 0.89 ADRA1A (0.66) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7966079 0.89 ADRA1A (0.66) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7962525 0.89 ADRA1A (0.66) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7963212 0.89 ADRA1A (0.66) ADRA1AADRA1BADRA1DHRH1ADRA2A
Hydrochloric Acid SCHEMBL7970257 0.88 ADRA1A (0.65) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7658901 0.84 ADRA1A (1.00) ADRA1AADRA1BADRA1DHRH1ADRA2A

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-6326372-B1 BENIGN PROSTATE HYPERPLASIA MERCK & CO., INC. 2001-12-04 US claimed
US-6326372-B1 BENIGN PROSTATE HYPERPLASIA MERCK & CO., INC. 2001-12-04 US disclosed