SCHEMBL7205232

SCHEMBL7205232

CCCCCN(C)CCCCCO[C@H]1CC[C@H](N(C)C(=O)Nc2ccc(Br)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FPR3 P25089 3/20 0.42
FPR2 P25090 3/20 0.42
LSS P48449 6/20 0.41
ATM Q13315 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPY5R Q15761 2/20 0.38
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37

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
SCHEMBL7209436 1.00 FPR3 (0.42) FPR3FPR2LSSATMRAB9A
SCHEMBL7209439 1.00 FPR3 (0.42) FPR3FPR2LSSATMRAB9A
SCHEMBL7211608 1.00 FPR3 (0.42) FPR3FPR2LSSATMRAB9A
SCHEMBL7211604 1.00 FPR3 (0.42) FPR3FPR2LSSATMRAB9A
SCHEMBL7205235 1.00 FPR3 (0.42) FPR3FPR2LSSATMRAB9A
SCHEMBL7205075 0.90 ALDH1A1 (0.46) LSSATMRAB9AKMT2ANPY5R
SCHEMBL7208575 0.90 LSS (0.48) LSSATMRAB9AKMT2ANPY5R
SCHEMBL7206024 0.90 LSS (0.48) LSSATMRAB9AKMT2ANPY5R
SCHEMBL7208569 0.90 LSS (0.48) LSSATMRAB9AKMT2ANPY5R
SCHEMBL7205073 0.90 ALDH1A1 (0.46) LSSATMRAB9AKMT2ANPY5R

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
EP-1311475-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-05-21 EP disclosed
WO-2002014267-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-21 WO disclosed