SCHEMBL22784271

SCHEMBL22784271

CN1CCC(OCC(=O)N2CCc3ccccc3[C@@H]2c2ccc(F)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 4/20 0.58
KCNH2 Q12809 1/20 0.53
TRPM8 Q7Z2W7 6/20 0.49
HHAT Q5VTY9 3/20 0.48
CYP2D6 P10635 1/20 0.47
TRPV1 Q8NER1 1/20 0.45
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL22784237 0.85 CHRM3 (0.68) CHRM3KCNH2TRPM8TRPV1
SCHEMBL22784184 0.82 CHRM3 (0.66) CHRM3KCNH2TRPM8TRPV1
SCHEMBL22784549 0.82 CHRM3 (0.53) CHRM3KCNH2TRPM8TRPV1
SCHEMBL22784179 0.82 CHRM3 (0.66) CHRM3KCNH2TRPM8TRPV1
Hydrochloric Acid SCHEMBL29560765 0.81 CHRM3 (0.65) CHRM3KCNH2TRPM8TRPV1
SCHEMBL24516877 0.80 CHRM3 (0.66) CHRM3KCNH2TRPM8HHATCYP2D6
SCHEMBL29704874 0.80 CHRM3 (0.66) CHRM3KCNH2TRPM8HHATCYP2D6
SCHEMBL26966430 0.80 CHRM3 (0.66) CHRM3KCNH2TRPM8HHATCYP2D6
SCHEMBL22784481 0.80 CHRM3 (0.58) CHRM3KCNH2TRPM8HHATCYP2D6
SCHEMBL22784697 0.80 CHRM3 (0.58) CHRM3KCNH2TRPM8HHATCYP2D6

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-2020252222-A1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME ARKUDA THERAPEUTICS (US) 2020-12-17 WO disclosed