SCHEMBL8708574

SCHEMBL8708574

CC(=O)C1(c2ccccc2)CCN(C(=O)c2c[nH]c3ccccc23)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 1/20 0.59
▸ AVPR1A P37288 2/20 0.58
▸ CCR5 P51681 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ MAPK14 Q16539 1/20 0.56
▸ MAPT P10636 3/20 0.51
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA7 P43166 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ CA14 Q9ULX7 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ PBRM1 Q86U86 1/20 0.49
▸ HSD11B1 P28845 1/20 0.48
▸ DRD2 P14416 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL948677 0.77 GFER (0.71) GFERAVPR1ACCR5HTTMAPK14
SCHEMBL289605 0.76 POLB (0.74) GFERAVPR1AHTTMAPK14POLB
SCHEMBL8710700 0.76 AVPR1A (0.65) GFERAVPR1ACCR5HTTMAPK14
SCHEMBL28481273 0.75 GFER (0.68) GFERAVPR1ACCR5HTTMAPK14
SCHEMBL1144650 0.75 GFER (0.68) GFERAVPR1ACCR5HTTMAPK14
SCHEMBL8710647 0.75 GFER (0.61) GFERAVPR1ACCR5HTTMAPK14
SCHEMBL8445235 0.75 GFER (1.00) GFERAVPR1AHTTMAPK14MAPT
SCHEMBL13774957 0.74 CA12 (0.59) GFERCA12CA1CA2CA7
SCHEMBL2636624 0.74 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL28978304 0.74 MAPK14 (0.65) GFERAVPR1ACCR5HTTMAPK14

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-1998028292-A1 NOVEL PIPERIDINE CONTAINING COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-07-02 — — WO disclosed
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