SCHEMBL18909453

SCHEMBL18909453

CCC(=O)N1CCN(CC2CCN(CC(=O)N3CCOCC3)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
HSD17B10 Q99714 1/20 0.55
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.48
NPC1 O15118 1/20 0.45
THRB P10828 1/20 0.42
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TMEM97 Q5BJF2 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
PKM P14618 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
CACNA2D1 P54289 1/20 0.40

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
SCHEMBL17547266 0.87 TSHR (0.72) ALOX15TSHRHSD17B10KDM4EALDH1A1
SCHEMBL22030933 0.86 ALOX15 (0.51) ALOX15TSHRHSD17B10KDM4EALDH1A1
SCHEMBL21280851 0.86 ALOX15 (0.51) ALOX15TSHRHSD17B10KDM4EALDH1A1
SCHEMBL18909105 0.86 TACR2 (0.49) ALOX15TSHRHSD17B10KDM4EALDH1A1
SCHEMBL18909230 0.86 THRB (0.53) ALOX15TSHRHSD17B10KDM4ELMNA
SCHEMBL18909382 0.83 TSHR (0.61) ALOX15TSHRHSD17B10KDM4EALDH1A1
SCHEMBL25701777 0.81 HSD11B1 (0.53) KDM4EALDH1A1TDP1CACNA2D1CACNA1B
SCHEMBL20471042 0.81 HRH3 (0.48) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL18909253 0.80 ALDH1A1 (0.55) KDM4EALDH1A1THRBMEN1KMT2A
SCHEMBL18909447 0.80 KDM4E (0.64) ALOX15TSHRHSD17B10KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3596072-B1 PYRAZOLOCHLOROPHENYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2022-06-22 EP disclosed
EP-3380474-B1 JANUS KINASES INHIBITORS, COMPOSITIONS THEREOF AND USE THEREOF HOFFMANN LA ROCHE (CH) 2019-08-21 EP disclosed
WO-2017140825-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-08-24 WO disclosed
WO-2017089390-A1 JANUS KINASES INHIBITORS, COMPOSITIONS THEREOF AND USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-06-01 WO disclosed