SCHEMBL6850635

SCHEMBL6850635

COC(=O)C1(N(C(=O)CCl)c2ccccc2F)CCN(C(C)=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
OPRM1 P35372 9/20 0.41
OPRD1 P41143 2/20 0.41
CACNA1C Q13936 1/20 0.41
OPRK1 P41145 1/20 0.41
CYP2D6 P10635 3/20 0.38
TSHR P16473 1/20 0.36
KCNH2 Q12809 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
AGTR2 P50052 1/20 0.36
USP2 O75604 1/20 0.35
KCNA3 P22001 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
SCHEMBL7160842 0.91 KMT2A (0.44) MEN1RAB9AKMT2AOPRM1OPRD1
SCHEMBL6850215 0.89 OPRM1 (0.45) OPRM1OPRD1CACNA1COPRK1KCNH2
SCHEMBL6766377 0.88 CYP2D6 (0.43) MEN1RAB9AKMT2AOPRM1OPRD1
SCHEMBL6762143 0.80 MEN1 (0.39) MEN1RAB9AKMT2AOPRM1CYP2D6
SCHEMBL6771757 0.77 OPRM1 (0.41) KMT2AOPRM1OPRD1CACNA1COPRK1
SCHEMBL6850630 0.75 MEN1 (0.41) MEN1RAB9AKMT2AOPRM1OPRD1
SCHEMBL9466532 0.71 OPRM1 (0.54) OPRM1OPRD1CACNA1COPRK1
SCHEMBL9467323 0.71 OPRD1 (0.77) MEN1KMT2AOPRM1OPRD1CACNA1C
SCHEMBL6767228 0.71 USP2 (0.39) MEN1RAB9AKMT2AOPRM1OPRD1
SCHEMBL9466400 0.70 OPRD1 (0.56) OPRM1OPRD1CACNA1COPRK1

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-6774133-B2 Substituted spiroheterocyclic 1H-3-aryl-pyrrolidine-2,4-dione derivatives, processes for their preparation, and their use as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2004-08-10 US disclosed
US-5981567-A ARTHROPODICIDAL OR NEMATICIDAL COMPOSITION BAYER AKTIENGESELLSCHAFT (DE) 1999-11-09 US disclosed