SCHEMBL9409650

SCHEMBL9409650

COC(=O)CCC1CCN(Cc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 7/20 0.54
TP53 P04637 5/20 0.49
GPR119 Q8TDV5 2/20 0.48
NAMPT P43490 1/20 0.48
LMNA P02545 1/20 0.47
CHRM2 P08172 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL9409411 0.84 NAMPT (0.47) TP53GPR119NAMPTLMNAKDM4E
SCHEMBL25030059 0.84 NAMPT (0.54) TP53GPR119NAMPTKDM4EPKM
SCHEMBL25248877 0.83 ACHE (0.63) CHRM4
SCHEMBL9409443 0.83 NAMPT (0.46) CHRM4TP53GPR119NAMPT
SCHEMBL14990343 0.82 NAMPT (0.56) TP53GPR119NAMPTKDM4EPKM
Hydrochloric Acid SCHEMBL9409567 0.81 CHRM4 (0.48) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL594491 0.81 KDM4E (0.51) GPR119KDM4EPKM
SCHEMBL3020170 0.81 RECQL (0.51) CHRM4TP53GPR119NAMPTLMNA
SCHEMBL9409500 0.80 HDAC4 (0.48) GPR119NAMPTLMNAKDM4EPKM
SCHEMBL27413698 0.80 NAMPT (0.46) GPR119NAMPTKDM4EPKM

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-0604800-A1 4- 4- 4-(carboxyalkyl)-phenyl amino carbonyl -phenyl -piperedines as aggregation inhibitors Dr. Karl Thomae GmbH (DE) 1994-07-06 EP disclosed