SCHEMBL8962817

SCHEMBL8962817

Fc1ccc([C@H]2CC[C@H](/C=C/Cl)CC2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.36
MAOB P27338 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
HDAC2 Q92769 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
USP5 P45974 2/20 0.33
HDAC6 Q9UBN7 1/20 0.33
SCD5 Q86SK9 1/20 0.32
USP30 Q70CQ3 1/20 0.32
CYP2D6 P10635 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KCNH2 Q12809 1/20 0.31
QDPR P09417 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
GRIA4 P48058 1/20 0.31

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
SCHEMBL8962808 1.00 KDM1A (0.36) KDM1AMAOBHTR2AHTR2CHTR2B
SCHEMBL8962654 0.95 KDM1A (0.34) KDM1AMAOBHTR2AHTR2CHTR2B
SCHEMBL8963228 0.88 P2RY14 (0.35) KDM1AMAOBHDAC2SCD5
SCHEMBL8963237 0.88 P2RY14 (0.35) KDM1AMAOBHDAC2SCD5
SCHEMBL8962617 0.87 SLC6A2 (0.35) HDAC2CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL8962613 0.87 SLC6A2 (0.35) HDAC2CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL8962804 0.86 KDM1A (0.44) KDM1AHDAC2KCNH2
SCHEMBL8963266 0.86 SLC6A3 (0.35) HTR2CHDAC2SLC6A2SLC6A4SLC6A3
SCHEMBL8962813 0.86 KDM1A (0.44) KDM1AHDAC2KCNH2
SCHEMBL8963272 0.86 SLC6A3 (0.35) HTR2CHDAC2SLC6A2SLC6A4SLC6A3

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
EP-0559860-B1 HALOVINYL-DERIVATIVES HOFFMANN LA ROCHE (CH) 1996-02-14 EP disclosed
US-5364556-A Halovinyl-derivatives HOFFMANN-LA ROCHE INC. (US) 1994-11-15 US disclosed