SCHEMBL7962229

SCHEMBL7962229

N#CC1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)CCCC2c2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 15/20 0.59
ADRA1A P35348 15/20 0.59
ADRA1B P35368 14/20 0.59
OPRM1 P35372 1/20 0.46
CHRM4 P08173 1/20 0.46
HRH1 P35367 2/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 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
Hydrochloric Acid SCHEMBL7960652 0.99 ADRA1D (0.58) ADRA1DADRA1AADRA1BOPRM1CHRM4
SCHEMBL7964723 0.84 ADRA1A (0.64) ADRA1DADRA1AADRA1BHRH1ADRA2A
SCHEMBL7968128 0.84 ADRA1A (0.64) ADRA1DADRA1AADRA1BHRH1ADRA2A
SCHEMBL7964726 0.84 ADRA1A (0.64) ADRA1DADRA1AADRA1BHRH1ADRA2A
Hydrochloric Acid SCHEMBL7963344 0.84 ADRA1A (0.63) ADRA1DADRA1AADRA1BHRH1ADRA2A
SCHEMBL7964640 0.80 ADRA1A (0.66) ADRA1DADRA1AADRA1BHRH1ADRA2A
SCHEMBL7955656 0.80 ADRA1A (0.66) ADRA1DADRA1AADRA1BHRH1ADRA2A
SCHEMBL7955653 0.80 ADRA1A (0.66) ADRA1DADRA1AADRA1BHRH1ADRA2A
Hydrochloric Acid SCHEMBL7967320 0.80 ADRA1A (0.65) ADRA1DADRA1AADRA1BHRH1ADRA2A
SCHEMBL7963932 0.78 ADRA1A (0.53) ADRA1DADRA1AADRA1BCHRM4HRH1

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