SCHEMBL29617639

SCHEMBL29617639

O=C(O)C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)CN(Cc2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
HIF1A Q16665 1/20 0.45
EPAS1 Q99814 1/20 0.45
FAAH O00519 1/20 0.45
S1PR5 Q9H228 2/20 0.44
S1PR1 P21453 2/20 0.44
GRK5 P34947 1/20 0.44
CDK8 P49336 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SIGMAR1 Q99720 3/20 0.43
PSEN1 P49768 2/20 0.43
PSEN2 P49810 2/20 0.43
APH1B Q8WW43 2/20 0.43
NCSTN Q92542 2/20 0.43
APH1A Q96BI3 2/20 0.43
PSENEN Q9NZ42 2/20 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
SCHEMBL29087738 1.00 CHRM2 (0.46) CHRM2CHRM5CHRM1CHRM3HIF1A
SCHEMBL29087736 1.00 CHRM2 (0.46) CHRM2CHRM5CHRM1CHRM3HIF1A
SCHEMBL29087762 0.95 TACR1 (0.44) CHRM2CHRM5CHRM1CHRM3HIF1A
SCHEMBL29087765 0.95 TACR1 (0.44) CHRM2CHRM5CHRM1CHRM3HIF1A
SCHEMBL30646794 0.95 PSEN1 (0.48) CHRM2CHRM5CHRM1CHRM3HIF1A
SCHEMBL29087735 0.95 PSEN1 (0.48) CHRM2CHRM5CHRM1CHRM3HIF1A
SCHEMBL29087732 0.95 PSEN1 (0.48) CHRM2CHRM5CHRM1CHRM3HIF1A
SCHEMBL29617613 0.95 PSEN1 (0.48) CHRM2CHRM5CHRM1CHRM3HIF1A
SCHEMBL29087681 0.95 CHRM2 (0.52) CHRM2CHRM5CHRM1CHRM3HIF1A
SCHEMBL29087678 0.95 CHRM2 (0.52) CHRM2CHRM5CHRM1CHRM3HIF1A

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-4247374-A1 SMALL MOLECULE COMPOUNDS AND COMPOSITIONS Telo Therapeutics, Inc. (US) 2023-09-27 EP disclosed
WO-2022109209-A1 SMALL MOLECULE COMPOUNDS AND COMPOSITIONS TELO THERAPEUTICS, INC. (US) 2022-05-27 WO disclosed