SCHEMBL19956367

SCHEMBL19956367

CNC1(N(C)C(=O)Cc2cc(C)ccc2C)CCN(OC)CC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAPK8 P45983 1/20 0.33
POLB P06746 1/20 0.33
MDM2 Q00987 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
NLRP3 Q96P20 1/20 0.32
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32
HPGD P15428 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
SCHEMBL19139664 0.86 POLB (0.35) KMT2AMEN1NPC1RAB9AMAPK8
SCHEMBL37485 0.85 OPRM1 (0.35) KMT2AMEN1NPC1RAB9AMAPK8
SCHEMBL46058 0.84 KDM4E (0.34) KMT2AMEN1NPC1RAB9AMAPK8
SCHEMBL15032133 0.82 MAPK8 (0.36) KMT2AMEN1NPC1RAB9AMAPK8
SCHEMBL12574768 0.79 OPRM1 (0.32) KMT2AMEN1NPC1RAB9AMAPK8
SCHEMBL12574766 0.78 COMT (0.33) KMT2AMEN1NPC1RAB9AMAPK8
SCHEMBL37524 0.78 OPRM1 (0.33) KMT2AMEN1NPC1RAB9AMAPK8
SCHEMBL46394 0.78 COMT (0.34) KMT2AMEN1NPC1RAB9AMAPK8
SCHEMBL16456945 0.77 FFAR4 (0.34) KMT2AMEN1NPC1RAB9AMAPK8
SCHEMBL46337 0.76 OPRM1 (0.35) KMT2ANPC1RAB9APOLBSMN1; SMN2

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
EP-2575469-B1 PESTICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2018-03-14 EP disclosed