SCHEMBL8907201

SCHEMBL8907201

COC(=O)C1(NC(=O)C(Cl)c2ccccc2F)CCC(c2ccccc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
SLC18A3 Q16572 1/20 0.33
BDKRB1 P46663 1/20 0.32
IDO1 P14902 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
HTR3A P46098 1/20 0.32

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
SCHEMBL8905504 0.90 MEN1 (0.38) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL8906834 0.89 HDAC4 (0.38) HDAC4MEN1KMT2AALDH1A1KDM4E
SCHEMBL8906890 0.86 OPRL1 (0.39) MEN1KMT2ABDKRB1CHRNB2CHRNB4
SCHEMBL8906445 0.85 OPRL1 (0.38) MEN1KMT2AMAPTBDKRB1CHRNB2
SCHEMBL8906897 0.85 MEN1 (0.36) MEN1KMT2AALDH1A1LMNABDKRB1
SCHEMBL8906524 0.83 MEN1 (0.36) MEN1KMT2AALDH1A1LMNABDKRB1
SCHEMBL8907394 0.81 FABP4 (0.38) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL8906514 0.80 MEN1 (0.38) MEN1KMT2AMAPTBDKRB1CHRNB2
SCHEMBL6483520 0.79 GAA (0.42) MEN1KMT2AALDH1A1
SCHEMBL8907165 0.77 OPRL1 (0.40) MEN1KMT2AALDH1A1MAPTLMNA

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
US-5677449-A PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-14 US disclosed
US-5462913-A Pesticides, insecticides, miticides, herbicides BAYER AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed