SCHEMBL11507801

SCHEMBL11507801

CNC1CCCC1N(C(=O)C1CCCC(C(F)(F)F)C1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 0.38
▸ CHRM3 P20309 2/20 0.38
▸ IDH2 P48735 1/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ FASN P49327 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MITF O75030 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ PAX8 Q06710 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MTNR1A P48039 1/20 0.32
▸ MTNR1B P49286 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ TRPM8 Q7Z2W7 1/20 0.32

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
SCHEMBL11472504 0.98 MEN1 (0.37) CHRM2CHRM3IDH2KMT2AFASN
SCHEMBL11447045 0.85 CHRM2 (0.40) CHRM2CHRM3IDH2KMT2AFASN
SCHEMBL11446724 0.83 CHRM2 (0.33) CHRM2CHRM3IDH2KMT2AFASN
SCHEMBL11330925 0.83 KMT2A (0.39) CHRM2CHRM3KMT2AFASNMEN1
SCHEMBL11506608 0.82 CHRM2 (0.44) CHRM2CHRM3KMT2AFASNMEN1
SCHEMBL11341621 0.82 TRPM8 (0.32) CHRM2CHRM3KMT2AFASNMEN1
SCHEMBL11510578 0.81 CHRM2 (0.38) CHRM2CHRM3KMT2AFASNMEN1
SCHEMBL11470164 0.79 MEN1 (0.41) CHRM2CHRM3KMT2AMEN1SMN1; SMN2
SCHEMBL11465317 0.75 MLYCD (0.40) CHRM2CHRM3KMT2AMEN1SMN1; SMN2
SCHEMBL11436157 0.74 OPRM1 (0.36) CHRM2CHRM3IDH2KMT2AFASN

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
US-4156015-A N-(2-Aminocyclopentyl)acylanilides and treating depression THE UPJOHN COMPANY (US) 1979-05-22 — — US disclosed
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