SCHEMBL9271663

SCHEMBL9271663

CC(/C=C/C1(F)CC1c1ccc(Br)c(Br)c1)=C(/F)C(=O)Nc1ccccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 7/20 0.38
HCRTR2 O43614 7/20 0.38
FAAH O00519 1/20 0.36
TUBB4A P04350 2/20 0.36
TUBB P07437 2/20 0.36
TUBA3C P0DPH7 2/20 0.36
TUBA1B P68363 2/20 0.36
TUBA4A P68366 2/20 0.36
TUBB4B P68371 2/20 0.36
TUBB3 Q13509 2/20 0.36
TUBB2A Q13885 2/20 0.36
TUBB8 Q3ZCM7 2/20 0.36
TUBA3E Q6PEY2 2/20 0.36
TUBA1A Q71U36 2/20 0.36
TUBA1C Q9BQE3 2/20 0.36
TUBB6 Q9BUF5 2/20 0.36
TUBB2B Q9BVA1 2/20 0.36
TUBB1 Q9H4B7 2/20 0.36
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34

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
SCHEMBL9191436 0.91 NPC1 (0.36) HCRTR1HCRTR2RAB9ANPC1MEN1
SCHEMBL9193857 0.84 HCRTR1 (0.37) HCRTR1HCRTR2FAAHTUBB4ATUBB
SCHEMBL9193683 0.81 MMP1 (0.40) FAAHTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8967692 0.79 HRH3 (0.31)
SCHEMBL9271669 0.79 HCRTR1 (0.35) HCRTR1HCRTR2FAAHTAS1R3TAS1R1
SCHEMBL9194001 0.75 MMP1 (0.36) HCRTR1HCRTR2RAB9ANPC1MEN1
SCHEMBL9193378 0.75 NPC1 (0.37) RAB9ANPC1MEN1LMNAMAPT
SCHEMBL9191175 0.73 KCNJ6 (0.35) HCRTR1HCRTR2FAAHRAB9ANPC1
SCHEMBL27364424 0.73 MMP1 (0.38) HCRTR1HCRTR2TUBB4ATUBBTUBA3C
SCHEMBL9455450 0.73 MMP1 (0.38) HCRTR1HCRTR2TUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0524041-B1 Pesticides ROUSSEL UCLAF (FR) 1995-09-20 EP claimed