SCHEMBL7832103

SCHEMBL7832103

CC(C)OC(=O)N1CCCc2cc(C(F)(F)F)ccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.57
KDM4E B2RXH2 1/20 0.50
ABHD6 Q9BV23 1/20 0.48
LMNA P02545 3/20 0.46
HSD17B10 Q99714 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
GPBAR1 Q8TDU6 1/20 0.42
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NR3C1 P04150 2/20 0.41
PDK1 Q15118 2/20 0.40
PDK2 Q15119 2/20 0.40
PDK3 Q15120 2/20 0.40
PDK4 Q16654 2/20 0.40
TRIM24 O15164 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL30211951 1.00 NOTUM (0.57) NOTUMKDM4EABHD6LMNAHSD17B10
SCHEMBL3618013 0.86 NR1H3 (0.51) NOTUMKDM4EABHD6LMNAHSD17B10
SCHEMBL6752845 0.84 NOTUM (0.59) NOTUMKDM4EABHD6LMNAHSD17B10
SCHEMBL30767099 0.84 NOTUM (0.59) NOTUMKDM4ELMNAHSD17B10HTR2A
SCHEMBL5696394 0.84 NOTUM (0.59) NOTUMKDM4ELMNAHSD17B10HTR2A
SCHEMBL26763830 0.84 NOTUM (0.61) NOTUMKDM4ELMNAHSD17B10HTR2A
SCHEMBL24011079 0.82 NOTUM (0.84) NOTUMLMNATP53MAPTSMN1; SMN2
SCHEMBL7669258 0.81 NOTUM (0.57) NOTUMKDM4EABHD6LMNAHSD17B10
SCHEMBL7552151 0.80 NOTUM (0.63) NOTUMKDM4ELMNAHSD17B10HTR2A
SCHEMBL8523193 0.79 NOTUM (0.53) NOTUMKDM4ELMNAHSD17B10HTR2A

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-1114031-A1 4-CARBOXYAMINO-2-SUBSTITUTED-1,2,3,4-TETRAHYDROQUINOLINES AS CETP INHIBITORS Pfizer Products Inc. (US) 2001-07-11 EP disclosed
WO-2000017164-A1 4-CARBOXYAMINO-2-SUBSTITUTED-1,2,3,4-TETRAHYDROQUINOLINES AS CETP INHIBITORS PFIZER PRODUCTS INC. (US) 2000-03-30 WO disclosed