SCHEMBL1581499

SCHEMBL1581499

O=C(O)N1CCC(O)(c2ccc(-c3ccc(Cl)cc3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
CCR3 P51677 1/20 0.52
OPRM1 P35372 2/20 0.51
OPRD1 P41143 1/20 0.51
OPRK1 P41145 1/20 0.51
OPRL1 P41146 1/20 0.51
CCR1 P32246 5/20 0.51
DRD2 P14416 4/20 0.51
KDM4E B2RXH2 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
ADRA1A P35348 1/20 0.49
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL2229509 0.95 MEN1 (0.62) MEN1KMT2ACA12CA1CA2
SCHEMBL23365138 0.89 MEN1 (0.60) MEN1KMT2ACA12CA1CA2
SCHEMBL4622767 0.86 KMT2A (0.56) MEN1KMT2ACA12CA1CA2
SCHEMBL1581993 0.85 MEN1 (0.44) MEN1KMT2ACA12CA1CA2
SCHEMBL1581501 0.85 DRD2 (0.45) MEN1KMT2ACA12CA1CA2
SCHEMBL1581749 0.84 OPRM1 (0.51) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL1581427 0.84 OPRM1 (0.51) OPRM1OPRD1OPRK1OPRL1CCR1
SCHEMBL8164463 0.83 CA12 (0.66) CA12CA1CA2CA7CA9
SCHEMBL13923623 0.81 MEN1 (0.61) MEN1KMT2ACA12CA1CA2
SCHEMBL1581919 0.81 OPRM1 (0.56) MEN1KMT2AOPRM1OPRD1OPRK1

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-1720872-B1 ARYL AND HETEROARYL-PIPERIDINECARBOXYLATE DERIVATIVES, THE PREPARATION AND THE USE THEREOF IN THE FORM OF FAAH ENZYME INHIBITORS SANOFI AVENTIS (FR) 2011-04-20 EP disclosed