SCHEMBL29948559

SCHEMBL29948559

CCCCOC(=O)N1CC=C(c2ccc(Cl)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.50
HRH2 P25021 1/20 0.48
HRH1 P35367 1/20 0.48
PPARG P37231 5/20 0.45
PPARA Q07869 5/20 0.45
SIGMAR1 Q99720 2/20 0.44
CCR1 P32246 1/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DRD2 P14416 1/20 0.42
QDPR P09417 1/20 0.41

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
SCHEMBL29650110 0.88 LMNA (0.47) CNR1HRH2HRH1LMNAMAPT
SCHEMBL14144348 0.88 ALDH1A1 (0.54) CNR1LMNAMAPTPOLBSMN1; SMN2
SCHEMBL29684579 0.80 SMN1; SMN2 (0.40) HRH2HRH1LMNAMAPTPOLB
SCHEMBL8369432 0.79 NPC1 (0.48) LMNAMAPTHTTSMN1; SMN2KDM4E
SCHEMBL30711543 0.79 QDPR (0.47) HRH2HRH1LMNAMAPTHTT
SCHEMBL29742123 0.79 HRH2 (0.41) HRH2HRH1LMNAMAPTPOLB
SCHEMBL29733157 0.78 SMYD3 (0.40) HRH2HRH1PPARGPPARALMNA
SCHEMBL8259131 0.78 SMN1; SMN2 (0.50) HRH2HRH1LMNAMAPTPOLB
SCHEMBL652961 0.77 NAMPT (0.60) CNR1CCR1
SCHEMBL5460918 0.77 CYP1A2 (0.43) HRH2HRH1LMNAMAPTPOLB

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-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 EP disclosed