SCHEMBL11522467

SCHEMBL11522467

COC(=O)C1CCCc2ccc(C(C)(C)C)nc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.36
SLC6A2 P23975 1/20 0.35
ATAD2 Q6PL18 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 3/20 0.33
DHODH Q02127 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CNR2 P34972 2/20 0.32
PPARG P37231 2/20 0.32
PPARA Q07869 2/20 0.32
NQO2 P16083 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL11520617 0.79 MTNR1B (0.34) LMNAALDH1A1MAPTHTTMEN1
SCHEMBL11011905 0.78 TRPV1 (0.31) TRPV1
SCHEMBL21024034 0.76 CREBBP (0.40) TRPV1ATAD2MTNR1AMTNR1B
SCHEMBL11011908 0.75 TRPV1 (0.34) TRPV1ATAD2ACHE
SCHEMBL11523030 0.75 ITGAV (0.38) ALDH1A1SMN1; SMN2HPGD
SCHEMBL30558705 0.74 HDAC1 (0.46) ALDH1A1MEN1KMT2ATSHRMAPK1
SCHEMBL3312236 0.74 HDAC1 (0.46) ALDH1A1MEN1KMT2ATSHRMAPK1
SCHEMBL11522209 0.73 TRPV1 (0.32) TRPV1
SCHEMBL907604 0.72 MEN1 (0.43) LMNASMN1; SMN2MEN1KMT2AMTNR1A
SCHEMBL29704388 0.72 MEN1 (0.43) LMNASMN1; SMN2MEN1KMT2AMTNR1A

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-4160094-A Tetrahydroquinoline derivatives JOHN WYETH & BROTHER LIMITED (GB) 1979-07-03 US disclosed