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Sugi Predict / Compounds / SCHEMBL103484

SCHEMBL103484

SCHEMBL103484

CC=Cc1c(N2CCN(CCOCc3ccccc3)CC2)ccc(C(=O)O)c1-c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TEAD3 Q99594 1/20 0.42
▸ DRD2 P14416 11/20 0.39
▸ DRD4 P21917 11/20 0.39
▸ DRD3 P35462 11/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ GRM5 P41594 2/20 0.38
▸ LIPG Q9Y5X9 1/20 0.37

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
SCHEMBL104893 0.87 MEN1 (0.47) MEN1GAAKMT2ATEAD3DRD2
SCHEMBL103639 0.76 MEN1 (0.47) MEN1GAAKMT2ATEAD3DRD2
SCHEMBL103640 0.76 MEN1 (0.47) MEN1GAAKMT2ATEAD3DRD2
SCHEMBL103483 0.76 MEN1 (0.42) MEN1GAAKMT2ATEAD3DRD2
SCHEMBL102930 0.72 DRD2 (0.47) MEN1GAAKMT2ATEAD3DRD2
SCHEMBL102932 0.72 DRD2 (0.47) MEN1GAAKMT2ATEAD3DRD2
SCHEMBL102543 0.70 MEN1 (0.47) MEN1GAAKMT2ATEAD3DRD2
SCHEMBL102207 0.70 MEN1 (0.47) MEN1GAAKMT2ATEAD3DRD2
SCHEMBL19557301 0.67 LTA4H (0.75) MEN1GAAKMT2ATEAD3LTA4H
SCHEMBL26981197 0.67 LTA4H (0.75) MEN1GAAKMT2ATEAD3LTA4H

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-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 — — EP disclosed