SCHEMBL27299337

SCHEMBL27299337

O=C(c1cccnc1)N1CCC(c2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.68
RIPK1 Q13546 2/20 0.63
SCD O00767 1/20 0.61
SCD5 Q86SK9 1/20 0.61
LMNA P02545 1/20 0.60
HPGDS O60760 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
ALDH1A1 P00352 2/20 0.59
GAA P10253 1/20 0.57
POLB P06746 1/20 0.56
TRPV6 Q9H1D0 1/20 0.56
MEN1 O00255 1/20 0.55
MAPT P10636 1/20 0.55
KMT2A Q03164 1/20 0.55
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55

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
SCHEMBL4206605 0.85 CA12 (0.71) CCR5L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL21084408 0.84 LMNA (0.67) SCDSCD5LMNAL3MBTL1MEN1
SCHEMBL9011061 0.84 CCR5 (0.54) CCR5RIPK1SCDSCD5LMNA
SCHEMBL29995238 0.82 GAA (0.62) RIPK1L3MBTL1ALDH1A1GAAPOLB
SCHEMBL21183264 0.82 GAA (0.62) RIPK1ALDH1A1GAAPOLBMEN1
SCHEMBL10720211 0.82 CA12 (0.76) CCR5L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL7833706 0.82 CCR5 (1.00) CCR5
SCHEMBL7810099 0.82 ALDH1A1 (0.52) CCR5RIPK1LMNAHPGDSALDH1A1
SCHEMBL9763711 0.82 PKM (0.74) LMNAL3MBTL1ALDH1A1POLBMEN1
SCHEMBL13073616 0.81 ACHE (0.67) ALDH1A1GAAPOLBMEN1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1035178-C Arylamide derivatives SS PHARMACEUTICAL CO (JP) 1997-06-18 CN disclosed
CN-1094039-A Arylamide derivatives SS PHARMACEUTICAL CO (JP) 1994-10-26 CN disclosed