SCHEMBL7968202

SCHEMBL7968202

N#Cc1ccccc1C1CCC(N2CC(O)(CN)C2)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.36
DRD4 P21917 1/20 0.36
CCRL2 O00421 1/20 0.36
CCR2 P41597 1/20 0.36
KCNH2 Q12809 1/20 0.36
GRM2 Q14416 4/20 0.35
MGLL Q99685 1/20 0.35
HCRTR2 O43614 2/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PROKR1 Q8TCW9 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL8006278 0.81 GRM5 (0.41) ADRA1ADRD4KDM4EALDH1A1
SCHEMBL7968198 0.81 DRD4 (0.40) ADRA1ADRD4CCRL2CCR2KCNH2
SCHEMBL7707804 0.79 CCRL2 (0.41) ADRA1ADRD4CCRL2CCR2KCNH2
SCHEMBL7707353 0.79 CCRL2 (0.41) ADRA1ADRD4CCRL2CCR2KCNH2
Hydrochloric Acid SCHEMBL6956256 0.78 CCRL2 (0.40) ADRA1ADRD4CCRL2CCR2KCNH2
SCHEMBL6964977 0.77 ADRA1A (0.43) ADRA1ADRD4CCRL2CCR2KCNH2
SCHEMBL3167985 0.75 ADRA1A (0.49) ADRA1ADRD4GRM2HCRTR2PROKR1
SCHEMBL29580963 0.75 ADRA1A (0.49) ADRA1ADRD4GRM2HCRTR2PROKR1
Hydrochloric Acid SCHEMBL7955138 0.74 KDM1A (0.43) ADRA1ADRD4CCRL2CCR2KCNH2
SCHEMBL6964976 0.74 KDM4E (0.44) ADRA1ADRD4CCRL2CCR2KCNH2

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-6255315-B1 BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2001-07-03 US disclosed
US-6037354-A ADMINISTERING PHENYL-SUBSTITUTED THIAZOLIDIN-4-ONE OR OXAZOLIDIN-2-ONE DERIVATIVE TO TREAT BENIGN PROSTATE HYPERPLASIA; SIDE EFFECT REDUCTION MERCK & CO., INC. (US) 2000-03-14 US disclosed