SCHEMBL8082211

SCHEMBL8082211

CC1(N)CCC(c2cccc3[nH]ncc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.49
IDO1 P14902 1/20 0.42
AXL P30530 2/20 0.41
TRPV1 Q8NER1 12/20 0.41
NOS1 P29475 3/20 0.41
METAP2 P50579 1/20 0.38

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
SCHEMBL17053409 0.80 MET (0.50) METIDO1AXLTRPV1NOS1
SCHEMBL3671316 0.77 TRPV1 (0.47) METIDO1AXLTRPV1NOS1
SCHEMBL22808947 0.76 MET (0.44) METIDO1AXLTRPV1NOS1
SCHEMBL14102482 0.74 NOS1 (0.49) METIDO1AXLTRPV1NOS1
SCHEMBL8228261 0.74 IDO1 (0.50) METIDO1AXLTRPV1NOS1
Hydrochloric Acid SCHEMBL4683856 0.73 NOS1 (0.47) METIDO1AXLTRPV1NOS1
SCHEMBL22619200 0.72 NOS1 (0.44) METIDO1AXLTRPV1NOS1
SCHEMBL17739153 0.72 CREBBP (0.56) TRPV1
SCHEMBL17739088 0.72 JAK1 (0.46) METIDO1TRPV1
SCHEMBL4684070 0.71 MET (0.45) METIDO1AXLTRPV1NOS1

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
WO-2008147812-A2 4' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2008-12-04 WO disclosed