SCHEMBL8907165

SCHEMBL8907165

CC(C)C1CCC(NC(=O)C(Cl)c2ccccc2F)(C(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.40
FABP4 P15090 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
FABP5 Q01469 1/20 0.35
EPHX2 P34913 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
HTR3A P46098 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
OPRM1 P35372 2/20 0.32
P2RX7 Q99572 1/20 0.32
OPRK1 P41145 1/20 0.32
DPP4 P27487 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
LMNA P02545 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
SCHEMBL8906890 0.89 OPRL1 (0.39) OPRL1MEN1KMT2AEPHX2CHRNB2
SCHEMBL8907394 0.88 FABP4 (0.38) FABP4MEN1KMT2AFABP5EPHX2
SCHEMBL6475240 0.86 KCNK3 (0.38) MEN1KMT2AEPHX2LPAR1P2RX7
SCHEMBL8905523 0.85 OPRL1 (0.40) OPRL1FABP4MEN1KMT2AFABP5
SCHEMBL8906395 0.85 FABP4 (0.36) OPRL1FABP4MEN1KMT2AFABP5
SCHEMBL8906834 0.85 HDAC4 (0.38) FABP4MEN1KMT2AFABP5LMNA
SCHEMBL8906372 0.83 MEN1 (0.35) OPRL1FABP4MEN1KMT2AFABP5
SCHEMBL8905912 0.80 MEN1 (0.36) FABP4MEN1KMT2AFABP5EPHX2
SCHEMBL8654470 0.78 HTR1E (0.38) OPRL1LMNAALDH1A1
SCHEMBL6474636 0.77 LPAR1 (0.36) MEN1KMT2AEPHX2LPAR1P2RX7

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