SCHEMBL19859936

SCHEMBL19859936

Cc1cc2c3c(ccc2c2cccnc12)C1CC2CC(C1)CC3C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.36
CCR8 P51685 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 1/20 0.35
HSP90AA1 P07900 1/20 0.35
PSMD14 O00487 2/20 0.33
COPS5 Q92905 2/20 0.33
SLC6A2 P23975 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CCR5 P51681 1/20 0.33
PRMT5 O14744 1/20 0.32
HTR1A P08908 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
BCHE P06276 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
SCHEMBL19859932 0.85 KDM4E (0.33) L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL17971395 0.84 CCR1 (0.35) CCR1CCR8L3MBTL1NPC1HSP90AA1
SCHEMBL19561474 0.74 CCR1 (0.32) CCR1CCR8L3MBTL1NPC1HSP90AA1
SCHEMBL16582573 0.68 KDM4E (0.33) L3MBTL1MEN1KMT2AHTR1AALDH1A1
SCHEMBL18309493 0.67 CCR1 (0.39) CCR1CCR8L3MBTL1NPC1HSP90AA1
SCHEMBL17971396 0.66 MEN1 (0.36) SLC6A2MEN1KMT2AHTR1A
SCHEMBL19859927 0.66 CCR1 (0.38) CCR1CCR8L3MBTL1NPC1HSP90AA1
SCHEMBL16904294 0.65 CYP2A6 (0.43) L3MBTL1HTTMEN1KMT2ACNR2
SCHEMBL17173759 0.64 KDM4E (0.52) CCR1CCR8L3MBTL1NPC1HSP90AA1
SCHEMBL16582842 0.63 LMNA (0.43) CCR1CCR8L3MBTL1HSP90AA1PSMD14

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-9893299-B2 Heterocyclic compounds MERCK PATENT GMBH (DE) 2018-02-13 US disclosed