SCHEMBL6603682

SCHEMBL6603682

FC(F)(F)Oc1cc(Br)ccc1CN1CC[CH]CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.47
MCHR1 Q99705 2/20 0.47
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CCR5 P51681 7/20 0.39
EPHX2 P34913 2/20 0.39
TRPV6 Q9H1D0 1/20 0.39
TSHR P16473 1/20 0.38
GFER P55789 1/20 0.38
MGLL Q99685 2/20 0.38
PLA2G7 Q13093 1/20 0.38
ABHD6 Q9BV23 1/20 0.38

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
SCHEMBL6601098 0.93 ADRA2A (0.44) ADRA2AMCHR1KDM4ETDP1CCR5
SCHEMBL1427490 0.87 KDM4E (0.59) ADRA2AMCHR1KDM4ETDP1CCR5
SCHEMBL24192354 0.85 ALDH1A1 (0.51) ADRA2AMCHR1KDM4ETDP1CCR5
SCHEMBL15094644 0.83 ADRA2A (0.47) ADRA2AMCHR1KDM4ETDP1CCR5
SCHEMBL28171356 0.82 ADRA2A (0.46) ADRA2AMCHR1KDM4ETDP1CCR5
SCHEMBL15094084 0.81 MGLL (0.49) ADRA2AMCHR1KDM4EEPHX2MGLL
SCHEMBL30207457 0.76 MGLL (0.52) ADRA2AMCHR1KDM4EEPHX2MGLL
SCHEMBL15100926 0.76 MGLL (0.52) ADRA2AMCHR1KDM4EEPHX2MGLL
SCHEMBL27611215 0.76 MCHR1 (0.54) ADRA2AMCHR1KDM4EEPHX2
SCHEMBL29555215 0.74 EPHX2 (0.41) ADRA2AMCHR1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1582281-A MCH receptor antagonists TAISHO PHARMACEUTICAL CO LTD (JP) 2005-02-16 CN disclosed
EP-1432693-A2 MCH RECEPTOR ANTAGONISTS Taisho Pharmaceutical Co. Ltd. (JP) 2004-06-30 EP disclosed
WO-2003028641-A2 MCH RECEPTOR ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2003-04-10 WO disclosed