SCHEMBL7876167

SCHEMBL7876167

CN(C(=O)N1CCCCC1C(=O)O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.48
POLB P06746 2/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DGAT1 O75907 1/20 0.43
MCL1 Q07820 1/20 0.42
CCR1 P32246 1/20 0.42
NOTUM Q6P988 1/20 0.41
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
UCHL1 P09936 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL7876164 1.00 UTS2R (0.48) UTS2RPOLBRAB9AALDH1A1SMN1; SMN2
SCHEMBL7876351 0.78 RAB9A (0.41) RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL7876350 0.78 RAB9A (0.41) RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL3679353 0.74 FKBP1A (0.60)
SCHEMBL7867139 0.74 ITGB2 (0.41) ALDH1A1SMN1; SMN2CCR1LMNAMAPT
SCHEMBL7867137 0.74 ITGB2 (0.41) ALDH1A1SMN1; SMN2CCR1LMNAMAPT
SCHEMBL13513299 0.73 UTS2R (0.46) UTS2RALDH1A1SMN1; SMN2HPGD
SCHEMBL7867514 0.73 L3MBTL1 (0.41) RAB9AALDH1A1SMN1; SMN2LMNATP53
SCHEMBL7867513 0.73 L3MBTL1 (0.41) RAB9AALDH1A1SMN1; SMN2LMNATP53
SCHEMBL11174926 0.72 TACR1 (0.50) POLBRAB9AALDH1A1SMN1; SMN2TP53

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
EP-0754176-B1 NOVEL CARBAMATES AND UREAS AS MODIFIERS OF MULTI-DRUG RESISTANCE VERTEX PHARMA (US) 2001-12-05 EP claimed