SCHEMBL16675681

SCHEMBL16675681

CN(Cc1ccccc1)C(=O)[C@@H]1CC[C@H](N)C1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
MAOA P21397 1/20 0.50
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
HTT P42858 2/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 2/20 0.45
TSHR P16473 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL12027660 1.00 POLB (0.55) POLBKMT2AMEN1MAOANPC1
SCHEMBL12027654 1.00 POLB (0.55) POLBKMT2AMEN1MAOANPC1
Hydrochloric Acid SCHEMBL4711056 0.90 POLB (0.60) POLBKMT2AMEN1MAOANPC1
Hydrochloric Acid SCHEMBL4711057 0.90 POLB (0.60) POLBKMT2AMEN1MAOANPC1
SCHEMBL5790489 0.86 POLB (0.69) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL13841211 0.84 POLB (0.56) POLBKMT2AMEN1MAOANPC1
SCHEMBL13450089 0.81 POLB (0.63) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL3154235 0.81 POLB (0.63) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL24636855 0.80 POLB (0.66) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL19750331 0.79 MEN1 (0.64) POLBKMT2AMEN1NPC1RAB9A

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-2188251-B1 ARYLSULFONAMIDES WITH ANALGESIC ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2015-04-29 EP disclosed