SCHEMBL11062162

SCHEMBL11062162

CCN(Cc1cc[nH]c1)C(=O)CCCOc1cccc2c1NC(=O)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.44
NPC1 O15118 2/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RAB9A P51151 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE3B Q13370 3/20 0.35
PDE3A Q14432 3/20 0.35
DRD2 P14416 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CCR1 P32246 1/20 0.33
KCNH2 Q12809 1/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
CYP19A1 P11511 1/20 0.32

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
SCHEMBL11071279 0.79 HDAC1 (0.41) NPC1TSHRLMNAALOX15MAPK1
SCHEMBL11065352 0.74 KMT2A (0.41) NPC1TSHRALOX15MAPK1HSD17B10
SCHEMBL11287374 0.74 MAPK1 (0.56) TRPM8NPC1TSHRLMNAALOX15
SCHEMBL11067771 0.73 PDE3B (0.41) PDE3BPDE3ADRD2MEN1KMT2A
SCHEMBL11071895 0.73 PDE3B (0.40) LMNAPDE3BPDE3AMEN1KMT2A
SCHEMBL12090742 0.71 CYP19A1 (0.48) NPC1MAPK1HPGDDRD2MEN1
SCHEMBL11071318 0.71 MAPT (0.41) DRD2MEN1KMT2A
SCHEMBL11278612 0.71 LMNA (0.46) NPC1LMNADRD2CCR1KCNH2
SCHEMBL11058886 0.71 PDE3B (0.51) PDE3BPDE3A
SCHEMBL11071361 0.71 PDE3B (0.45) SMN1; SMN2PDE3BPDE3ADRD2MEN1

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-4435404-A ANTICOAGULANTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-03-06 US disclosed