SCHEMBL9014422

SCHEMBL9014422

O=C(CC1COc2ccccc21)N1CCC(c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.48
LMNA P02545 2/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 1/20 0.39
PTGDR2 Q9Y5Y4 5/20 0.39
KCNH2 Q12809 2/20 0.39
ADAM17 P78536 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
PPARG P37231 2/20 0.38
PPARD Q03181 2/20 0.38
AIMP2 Q13155 1/20 0.38
LTA4H P09960 1/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL9014309 0.83 KCNH2 (0.59) PTGDR2KCNH2
SCHEMBL9014659 0.80 KCNH2 (0.57) FFAR1KCNH2
SCHEMBL9014709 0.79 DHODH (0.45) LMNATP53MAPTPTGDR2
SCHEMBL9014334 0.71 KCNH2 (0.46) LMNAMAPTKCNH2ADAM17ADAMTS5
SCHEMBL15840483 0.71 CCR2 (0.46)
SCHEMBL2227201 0.70 ENPP2 (0.54) LMNATP53MAPTADAM17ADAMTS5
SCHEMBL17208424 0.69 ADAM17 (0.46) LMNATP53MAPTADAM17ADAMTS5
SCHEMBL16649647 0.69 LMNA (0.47) LMNATP53MAPTKCNH2NPSR1
SCHEMBL204961 0.68 PPARG (0.62) FFAR1PPARGPPARD
SCHEMBL203850 0.68 PPARG (0.62) FFAR1PPARGPPARD

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
US-5495022-A Piperidines and piperazines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-02-27 US disclosed
EP-0634398-A1 4-Phenylpiperidinyl-1/-piperazinyl-1-ethylsubstituted benzofusedheterocycles as antiarrhythmic agents MERCK PATENT GmbH (DE) 1995-01-18 EP disclosed