SCHEMBL28188737

SCHEMBL28188737

CN1CCNC(c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 3/20 0.42
▸ ESR1 P03372 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ GSK3B P49841 4/20 0.37
▸ KDM1A O60341 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 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
SCHEMBL3700826 0.82 GSK3B (0.46) GSK3B
SCHEMBL3700830 0.82 GSK3B (0.46) GSK3B
SCHEMBL24342636 0.79 GSK3B (0.45) GSK3B
SCHEMBL3273432 0.79 GSK3B (0.46) GSK3B
SCHEMBL3273438 0.79 GSK3B (0.46) GSK3B
SCHEMBL188499 0.79 KDM4E (0.38) GSK3BKMT2A
SCHEMBL1777416 0.79 GSK3B (0.46) GSK3B
SCHEMBL24547769 0.79 EPHX2 (0.43) HTR2CMEN1KMT2A
SCHEMBL2908444 0.78 PDE10A (0.45) GSK3B
SCHEMBL90572 0.78 PDE10A (0.45) GSK3B

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
CN-105452233-B Piperidine and azepane derivatives as prokineticin receptor modulators 武田药品工业株式会社 2017-12-08 — — CN disclosed
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