SCHEMBL16354292

SCHEMBL16354292

O=C(c1cccc(C(F)(F)F)c1)N1CCCc2ccc[c]c21

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
POLB P06746 1/20 0.52
HPGD P15428 1/20 0.52
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
GPBAR1 Q8TDU6 1/20 0.44
GAA P10253 1/20 0.43
CES2 O00748 1/20 0.43
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
P2RX1 P51575 1/20 0.42
RBP4 P02753 1/20 0.41

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
SCHEMBL16354254 0.87 TSHR (0.47) HPGDMEN1KMT2ACYP3A4CYP2C9
SCHEMBL700427 0.79 LMNA (0.53) LMNAPOLBHPGDMEN1KMT2A
SCHEMBL9370064 0.78 LMNA (0.62) LMNAPOLBHPGDMEN1KMT2A
SCHEMBL16354340 0.75 CYP11B1 (0.52) LMNAPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL15703769 0.75 ALDH1A1 (0.48) LMNA
SCHEMBL30788253 0.70 ALDH1A1 (0.67) LMNAPOLBMEN1KMT2AGAA
SCHEMBL27179827 0.70 ALDH1A1 (0.67) LMNAPOLBMEN1KMT2AGAA
SCHEMBL11480218 0.69 HPGD (1.00) LMNAPOLBHPGDMEN1KMT2A
SCHEMBL16354335 0.69 POLB (0.55) LMNAPOLBMEN1KMT2ATSHR
SCHEMBL16354304 0.68 CYP11B1 (0.49) MEN1KMT2ASMN1; SMN2

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-2421823-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-01-14 EP claimed