SCHEMBL18530848

SCHEMBL18530848

CC(=O)N1CCN(C(=O)c2coc3cc(C)ccc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.49
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
ALOX15 P16050 1/20 0.45
KMT2A Q03164 3/20 0.44
HTT P42858 1/20 0.43
CRBN Q96SW2 2/20 0.43
HSP90AA1 P07900 1/20 0.42
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
POLB P06746 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
USP2 O75604 1/20 0.39

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
SCHEMBL16408356 0.86 LTA4H (0.49) LTA4HMAPTSMN1; SMN2KMT2ACRBN
SCHEMBL18872085 0.82 CRBN (0.57) LTA4HMAPTALOX15KMT2ACRBN
SCHEMBL24910640 0.75 LMNA (0.53) MAPTSMN1; SMN2KMT2AHTTHSP90AA1
SCHEMBL29933509 0.75 SMN1; SMN2 (0.59) MAPTSMN1; SMN2ALOX15KMT2AMEN1
SCHEMBL18530849 0.75 SMN1; SMN2 (0.59) MAPTSMN1; SMN2ALOX15KMT2AMEN1
SCHEMBL21758465 0.73 NR4A2 (0.55) HTT
SCHEMBL7872416 0.73 CPS1 (0.57) MAPTKMT2AHTTHSP90AA1MEN1
SCHEMBL15447330 0.71 MAPT (0.53) MAPTSMN1; SMN2ALOX15KMT2AMEN1
SCHEMBL31704211 0.69 POLB (0.46) LTA4HMAPTKMT2AMEN1NPC1
SCHEMBL13071791 0.69 ALDH1A1 (0.41) LTA4HCRBNPOLBTSHRNPSR1

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
US-9573957-B2 Inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-02-21 US disclosed