SCHEMBL6196148

SCHEMBL6196148

O=C(Cc1ccccc1-c1ccc(F)cc1)CC1CCCCN1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 3/20 0.52
LTA4H P09960 3/20 0.41
POLB P06746 1/20 0.39
MLNR O43193 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
KMT2A Q03164 1/20 0.36
CACNA2D1 P54289 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNB1 Q02641 1/20 0.35
CHRM1 P11229 1/20 0.35
SSTR2 P30874 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
SCHEMBL7539706 0.71 POLB (0.57) LTA4HPOLBKMT2ACACNA2D1CACNA1B
SCHEMBL465789 0.71 CACNA2D1 (0.46) CHRM3LTA4HPOLBCACNA2D1CACNA1B
SCHEMBL465899 0.71 CHRM3 (0.48) CHRM3LTA4H
SCHEMBL2052434 0.70 FFAR1 (0.43) MLNRPTGDR2FFAR1FFAR4KMT2A
SCHEMBL465900 0.70 CHRM3 (0.47) CHRM3LTA4H
SCHEMBL3507028 0.70 MMP1 (0.57) PTGDR2FFAR1FFAR4KMT2A
SCHEMBL17840281 0.70 CHRM3 (0.53) CHRM3
SCHEMBL17840283 0.70 CHRM3 (0.53) CHRM3
SCHEMBL465822 0.69 CHRM1 (0.36) CHRM3KMT2ACHRM1
SCHEMBL24804995 0.69 FDPS (0.53) CHRM3POLBMLNRKMT2ACACNA2D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1505872-A1 RODENTICIDAL BAIT SYSTEM Bayer CropScience Aktiengesellschaft (DE) 2005-02-16 EP disclosed
EP-1389039-A1 METHOD FOR CONTROLLING HARMFUL RODENTS IN AGRICULTURAL ENTERPRISES Bayer CropScience AG (DE) 2004-02-18 EP disclosed
WO-2003094612-A1 RODENTICIDAL BAIT SYSTEM BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-11-20 WO disclosed
WO-2002091827-A1 METHOD FOR CONTROLLING HARMFUL RODENTS IN AGRICULTURAL ENTERPRISES BAYER CROPSCIENCE AG (DE) 2002-11-21 WO disclosed
EP-0784427-A1 RODENTICIDAL BAIT SYSTEMS BAYER AG (DE) 1997-07-23 EP disclosed
WO-1996009758-A1 RODENTICIDAL BAIT SYSTEMS BAYER AKTIENGESELLSCHAFT (DE) 1996-04-04 WO disclosed