SCHEMBL6964976

SCHEMBL6964976

N#Cc1ccccc1C1CCC(N2CC(C(N)=O)C2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
RECQL P46063 1/20 0.44
CCRL2 O00421 1/20 0.42
CCR2 P41597 1/20 0.42
KCNH2 Q12809 1/20 0.42
ADRA1A P35348 2/20 0.40
MGLL Q99685 1/20 0.40
PROKR1 Q8TCW9 1/20 0.40
DRD4 P21917 1/20 0.39
KDM2B Q8NHM5 2/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
RIPK1 Q13546 1/20 0.38
AR P10275 1/20 0.38
HCRTR2 O43614 3/20 0.37
GAA P10253 1/20 0.37
SLC22A12 Q96S37 1/20 0.36
TSHR P16473 1/20 0.35

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 SCHEMBL6956254 0.99 KDM4E (0.43) KDM4ERECQLCCRL2CCR2KCNH2
SCHEMBL6964977 0.85 ADRA1A (0.43) CCRL2CCR2KCNH2ADRA1AMGLL
SCHEMBL7707804 0.81 CCRL2 (0.41) CCRL2CCR2KCNH2ADRA1AMGLL
SCHEMBL7707353 0.81 CCRL2 (0.41) CCRL2CCR2KCNH2ADRA1AMGLL
SCHEMBL7968198 0.81 DRD4 (0.40) KDM4ERECQLCCRL2CCR2KCNH2
Hydrochloric Acid SCHEMBL6956256 0.80 CCRL2 (0.40) CCRL2CCR2KCNH2ADRA1AMGLL
SCHEMBL8005728 0.80 GAA (0.53) KDM4ERECQLDRD4KDM2BSIRT2
Hydrochloric Acid SCHEMBL7955138 0.78 KDM1A (0.43) CCRL2CCR2KCNH2ADRA1AMGLL
Hydrochloric Acid SCHEMBL6961572 0.78 KDM1A (0.43) CCRL2CCR2KCNH2ADRA1AMGLL
SCHEMBL6965580 0.77 MEN1 (0.52) KDM4EGAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0998285-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2003-01-08 EP disclosed
US-6255315-B1 BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2001-07-03 US disclosed
EP-0998285-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-05-10 EP 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
WO-1998057641-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-12-23 WO disclosed