SCHEMBL24154841

SCHEMBL24154841

CCOc1ccc(C2C3CCC(CC3)N2C)cn1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR174 Q9BXC1 1/20 0.38
MAPT P10636 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
AOC3 Q16853 1/20 0.36
ACACB O00763 2/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34

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
SCHEMBL25861918 0.77 CHRNB2 (0.39) CHRNB2CHRNA4
SCHEMBL24154840 0.77 CHRNB2 (0.60) CHRNB2CHRNA4
SCHEMBL24154839 0.76 SSTR4 (0.36)
Hydrochloric Acid SCHEMBL30116784 0.75 CHRNB2 (0.38) CHRNB2CHRNA4
SCHEMBL24154693 0.75 ACACB (0.35) GPR174MAPTAOC3ACACB
SCHEMBL30116768 0.75 ACACB (0.35) GPR174MAPTAOC3ACACB
SCHEMBL15774682 0.74 MAPT (0.46) GPR174MAPTAOC3ACACB
SCHEMBL30116722 0.72 CHRNA7 (0.46) CHRNB2CHRNA4
SCHEMBL24155144 0.72 CHRNA7 (0.46) CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL25263009 0.71 CHRNA7 (0.45) CHRNB2CHRNA4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4172156-A1 COMPOSITIONS AND METHODS FOR PARASITE CONTROL Philip Morris Products S.A. (CH) 2023-05-03 EP disclosed
WO-2021260029-A1 COMPOSITIONS AND METHODS FOR PARASITE CONTROL PHILIP MORRIS PRODUCTS S.A. (CH) 2021-12-30 WO disclosed