SCHEMBL990693

SCHEMBL990693

Cc1ccc(CCNNc2ccc(Cl)cc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TAAR1 Q96RJ0 1/20 0.41
CNR1 P21554 3/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
NR3C1 P04150 1/20 0.39
P2RX3 P56373 5/20 0.38
GSK3A P49840 2/20 0.38
GSK3B P49841 2/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE10A Q9Y233 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL1120384 0.88 GAA (0.49) GAARAB9ACNR1MEN1LMNA
Hydrochloric Acid SCHEMBL119951 0.87 GAA (0.48) GAARAB9ACNR1MEN1LMNA
SCHEMBL989796 0.81 TAAR1 (0.55) NPC1RAB9ATAAR1CNR1MEN1
SCHEMBL934513 0.79 GAA (0.46) GAARAB9ACNR1MEN1LMNA
SCHEMBL3664015 0.79 MAPT (0.43) GAARAB9AMEN1LMNAKMT2A
Hydrochloric Acid SCHEMBL3664723 0.78 MAPT (0.42) GAARAB9AMEN1LMNAKMT2A
SCHEMBL989861 0.73 CNR1 (0.57) GAARAB9ATAAR1CNR1MEN1
SCHEMBL990628 0.73 CNR1 (0.57) GAARAB9ATAAR1CNR1MEN1
SCHEMBL12140714 0.72 GAA (0.58) GAATAAR1MEN1LMNAKMT2A
SCHEMBL575038 0.72 GAA (0.59) GAANPC1RAB9AMEN1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102480955-A Pyrido [4,3-b ] indoles and methods of use MEDIVATION TECHNOLOGIES INC 2012-05-30 CN disclosed
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