SCHEMBL2485448

SCHEMBL2485448

CC1(Cc2ccccc2)COCC[N]1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.38
MAOA P21397 4/20 0.35
MAOB P27338 4/20 0.35
ELANE P08246 1/20 0.33
LMNA P02545 1/20 0.31
HTT P42858 2/20 0.31
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
KDM1A O60341 2/20 0.30
PKM P14618 1/20 0.30
TSHR P16473 1/20 0.30
CRHBP P24387 1/20 0.30
PIK3CB P42338 1/20 0.30
CRHR2 Q13324 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL6987368 0.79 MAOA (0.37) MAOAMAOBLMNAHTTKDM1A
SCHEMBL6984753 0.78 ELANE (0.33) MAOAMAOBELANE
SCHEMBL1968441 0.72 BACE1 (0.43) BACE1MAOAMAOBELANEHTT
SCHEMBL6985348 0.71 SIGMAR1 (0.38) MAOAOPRM1OPRK1OPRL1
SCHEMBL10535790 0.70
SCHEMBL2486825 0.70 BACE1 (0.38) BACE1MAOAMAOBLMNATSHR
SCHEMBL11058571 0.69 MAOA (0.37) MAOAMAOBELANELMNAHTT
SCHEMBL5028984 0.69 MAOA (0.43) MAOAMAOBELANEOPRM1OPRK1
SCHEMBL11874420 0.69
SCHEMBL3620624 0.67 TAAR1 (0.55) BACE1MAOAMAOB

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-2379521-A1 SULFAMIDES AS TRPM8 MODULATORS Janssen Pharmaceutica, N.V. (BE) 2011-10-26 EP disclosed
WO-2010080397-A1 SULFAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-07-15 WO disclosed