SCHEMBL991931

SCHEMBL991931

Cc1ccc(NNCCc2ccc(F)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.52
MAPT P10636 3/20 0.49
GAA P10253 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ACHE P22303 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 3/20 0.43
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 4/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.42
HTT P42858 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
AURKA O14965 1/20 0.41
ABL1 P00519 1/20 0.41
NTRK1 P04629 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
SCHEMBL989911 0.91 TAAR1 (0.55) TAAR1MAPTGAASMN1; SMN2L3MBTL1
SCHEMBL990628 0.83 CNR1 (0.57) TAAR1MAPTGAASMN1; SMN2LMNA
SCHEMBL989861 0.83 CNR1 (0.57) TAAR1MAPTGAASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL10770594 0.81 MAPT (0.56) TAAR1MAPTGAASMN1; SMN2LMNA
SCHEMBL7488316 0.79 RAB9A (0.49) TAAR1MAPTSMN1; SMN2L3MBTL1LMNA
SCHEMBL12342243 0.78 TAAR1 (0.59) TAAR1GAAACHEL3MBTL1LMNA
SCHEMBL13808352 0.77 ACHE (0.68) TAAR1GAASMN1; SMN2ACHELMNA
SCHEMBL1120384 0.76 GAA (0.49) MAPTGAASMN1; SMN2LMNAALDH1A1
Hydrochloric Acid SCHEMBL119951 0.74 GAA (0.48) MAPTGAASMN1; SMN2LMNAALDH1A1
SCHEMBL934513 0.73 GAA (0.46) MAPTGAASMN1; SMN2L3MBTL1LMNA

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-2274307-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Medivation Technologies, Inc. (US) 2011-01-19 EP disclosed
WO-2009120720-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES,INC. (US) 2009-10-01 WO disclosed