SCHEMBL16087384

SCHEMBL16087384

O=C(c1ccc2ncccc2c1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.58
RORC P51449 1/20 0.53
ATM Q13315 1/20 0.53
CNR1 P21554 1/20 0.52
TRPM8 Q7Z2W7 1/20 0.52
HSD11B1 P28845 1/20 0.52
TDP1 Q9NUW8 1/20 0.50
SCN9A Q15858 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
ACACA Q13085 1/20 0.49
GAA P10253 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
SLC6A7 Q99884 1/20 0.48
CHRM1 P11229 1/20 0.48
MAPT P10636 1/20 0.47

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
SCHEMBL2226910 0.92 L3MBTL1 (0.58) L3MBTL1ATMCNR1HSD11B1TDP1
Hydrochloric Acid SCHEMBL14777717 0.91 L3MBTL1 (0.57) L3MBTL1ATMCNR1HSD11B1TDP1
SCHEMBL16087283 0.89 L3MBTL1 (0.63) L3MBTL1RORCATMTDP1SMN1; SMN2
SCHEMBL16087252 0.87 SCN9A (0.51) L3MBTL1RORCATMTDP1SCN9A
SCHEMBL16087187 0.87 PKM (0.54) L3MBTL1ATMTDP1SMN1; SMN2GAA
SCHEMBL16087385 0.87 L3MBTL1 (0.66) L3MBTL1ATMHSD11B1TDP1SMN1; SMN2
SCHEMBL16087246 0.87 LMNA (0.56) L3MBTL1RORCATMHSD11B1SMN1; SMN2
SCHEMBL16087362 0.84 L3MBTL1 (0.54) L3MBTL1ATMHSD11B1TDP1SCN9A
SCHEMBL16087255 0.81 KMT2A (0.53) ATMSMN1; SMN2GAAALDH1A1MEN1
SCHEMBL1945511 0.80 L3MBTL1 (0.81) L3MBTL1ATMCNR1ALDH1A1MEN1

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-2533782-B1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS CONVERGENCE PHARMACEUTICALS (GB) 2014-09-24 EP claimed