SCHEMBL7963901

SCHEMBL7963901

C[C@H](c1ccccc1)N1CCC(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)C1=O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 17/20 0.59
ADRA1B P35368 15/20 0.59
ADRA1D P25100 14/20 0.59
HRH1 P35367 2/20 0.59
ADRA2A P08913 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52
CCR3 P51677 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
SCHEMBL7961316 1.00 ADRA1A (0.59) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7966154 1.00 ADRA1A (0.59) ADRA1AADRA1BADRA1DHRH1ADRA2A
Hydrochloric Acid SCHEMBL7951346 0.99 ADRA1A (0.58) ADRA1AADRA1BADRA1DHRH1ADRA2A
Hydrochloric Acid SCHEMBL7954708 0.99 ADRA1A (0.58) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7951534 0.90 ADRA1A (0.57) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7962310 0.89 ADRA1A (0.58) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7962548 0.89 ADRA1A (0.58) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7951819 0.87 ADRA1A (0.56) ADRA1AADRA1BADRA1DHRH1ADRA2A
SCHEMBL7966171 0.87 ADRA1A (0.56) ADRA1AADRA1BADRA1DHRH1ADRA2A
Hydrochloric Acid SCHEMBL7966417 0.86 ADRA1A (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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