SCHEMBL2496784

SCHEMBL2496784

CCCNC(C)Cc1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.51
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
PKM P14618 1/20 0.50
GHSR Q92847 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49
SIGMAR1 Q99720 1/20 0.48
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
PGR P06401 1/20 0.46
POLB P06746 1/20 0.46
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC3 O15379 1/20 0.45

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
Hydrochloric Acid SCHEMBL4920445 0.99 UCHL1 (0.50) UCHL1ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL2470474 0.82 HDAC1 (0.50) UCHL1ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL2470476 0.82 HDAC1 (0.50) UCHL1ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL2492550 0.82 HDAC1 (0.50) UCHL1ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL2472514 0.81 ADRB2 (0.60) UCHL1ALDH1A1SMN1; SMN2MAPTLMNA
Hydrochloric Acid SCHEMBL4922779 0.80 ADRB2 (0.59) UCHL1ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL19770591 0.79 POLB (0.46) UCHL1ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL4863436 0.77 SIGMAR1 (0.60) ALDH1A1GHSRSIGMAR1ADRB2ADRB1
Hydrochloric Acid SCHEMBL4870286 0.76 SIGMAR1 (0.58) ALDH1A1GHSRSIGMAR1ADRB2ADRB1
SCHEMBL2466084 0.75 FFAR1 (0.51) UCHL1ALDH1A1SMN1; SMN2MAPTLMNA

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-2371814-A1 Aminoethylaromatic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor Abbott GmbH & Co. KG (DE) 2011-10-05 EP disclosed