SCHEMBL18664012

SCHEMBL18664012

CC1CCN(C(C)C(F)F)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
SIGMAR1 Q99720 4/20 0.33
PHGDH O43175 1/20 0.31
MGLL Q99685 1/20 0.31
CARM1 Q86X55 1/20 0.30
PRMT6 Q96LA8 1/20 0.30
PRMT1 Q99873 1/20 0.30
PRMT8 Q9NR22 1/20 0.30
ACHE P22303 1/20 0.30
MCOLN3 Q8TDD5 1/20 0.30

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
SCHEMBL18664015 1.00 MEN1 (0.36) MEN1ALDH1A1KMT2ASIGMAR1PHGDH
SCHEMBL16022954 0.80 ALDH1A1 (0.39) MEN1ALDH1A1KMT2ASIGMAR1PHGDH
SCHEMBL20063989 0.79 GNAI3 (0.31)
SCHEMBL18663993 0.79
SCHEMBL18664001 0.79
SCHEMBL13873243 0.77 MEN1 (0.35) MEN1ALDH1A1KMT2ASIGMAR1PHGDH
SCHEMBL105496 0.74 ALDH1A1 (0.41) MEN1ALDH1A1KMT2ASIGMAR1PHGDH
SCHEMBL28316762 0.72 SMN1; SMN2 (0.38)
SCHEMBL20064974 0.70 ADH1B (0.45)
SCHEMBL25084170 0.70 MEN1 (0.39) MEN1ALDH1A1KMT2ASIGMAR1PHGDH

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
WO-2017045751-A1 COMPOUNDS AS ASIC INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-03-23 WO disclosed