SCHEMBL5969945

SCHEMBL5969945

O=C(O)N1CCC(N(Cc2ccc(F)c(F)c2)c2cccc(F)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CCR5 P51681 1/20 0.42
OPRM1 P35372 8/20 0.41
CHRM1 P11229 3/20 0.41
CHRM3 P20309 3/20 0.41
CHRM2 P08172 2/20 0.41
CHRM5 P08912 1/20 0.41
PTGIR P43119 1/20 0.40
ACHE P22303 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
AGTR2 P50052 1/20 0.38

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
SCHEMBL5969612 0.92 CHRM1 (0.45) MEN1KMT2ACCR5OPRM1CHRM1
SCHEMBL5969497 0.90 MEN1 (0.47) MEN1KMT2ACCR5OPRM1CHRM1
SCHEMBL5969498 0.89 CHRM1 (0.43) MEN1KMT2ACCR5CHRM1CHRM3
SCHEMBL5969556 0.89 MEN1 (0.47) MEN1KMT2ACCR5OPRM1CHRM3
SCHEMBL5969489 0.89 HRH3 (0.43) MEN1KMT2ACCR5CHRM1CHRM3
SCHEMBL5969529 0.88 MEN1 (0.48) MEN1KMT2ACCR5OPRM1CHRM1
SCHEMBL5969549 0.87 MEN1 (0.45) MEN1KMT2ACCR5OPRM1CHRM1
SCHEMBL5969511 0.87 CETP (0.45) MEN1KMT2ACCR5OPRM1PTGIR
SCHEMBL4312474 0.86 MEN1 (0.44) MEN1KMT2ACCR5OPRM1ACHE
SCHEMBL4315157 0.86 MEN1 (0.49) MEN1KMT2A

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-1556045-B1 4-AMINOPIPERIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS UCB SA (BE) 2006-08-02 EP claimed