SCHEMBL8922008

SCHEMBL8922008

CCCCOC(=O)N1CCC(c2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.59
PRMT5 O14744 1/20 0.55
WDR77 Q9BQA1 1/20 0.55
SLC18A3 Q16572 3/20 0.53
BRD4 O60885 1/20 0.53
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 1/20 0.50
DRD2 P14416 1/20 0.49
HSD11B1 P28845 1/20 0.48
KCNH2 Q12809 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
CHRM2 P08172 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL4709679 0.92 PRMT5 (0.64) CHRM4PRMT5WDR77BRD4LMNA
SCHEMBL9172873 0.88 CHRM4 (0.47) CHRM4PRMT5WDR77LMNASMN1; SMN2
SCHEMBL30711534 0.87 CHRM4 (0.53) CHRM4PRMT5LMNASMN1; SMN2HRH3
SCHEMBL30376364 0.87 LMNA (0.49) CHRM4PRMT5WDR77LMNASMN1; SMN2
SCHEMBL4969308 0.85 LMNA (0.46) CHRM4PRMT5WDR77SLC18A3BRD4
SCHEMBL28351668 0.84 PRMT5 (0.60) CHRM4PRMT5WDR77SLC18A3BRD4
SCHEMBL2278659 0.84 TSHR (0.46) CHRM4PRMT5WDR77BRD4LMNA
SCHEMBL9174231 0.84 HRH1 (0.51) CHRM4LMNASMN1; SMN2POLBHRH3
SCHEMBL8306843 0.83 HRH2 (0.46) CHRM4PRMT5WDR77LMNASMN1; SMN2
SCHEMBL21159622 0.82 BRD4 (0.61) CHRM4SLC18A3BRD4LMNASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663352-A 4-phenyl-4-phenylpropyl(enyl)-piperidines as tachykinin antagonists MERCK SHARP & DOHME LIMITED (GB) 1997-09-02 US disclosed
EP-0711281-A1 4-PHENYL-4-PHENYLPROPYL(ENYL)-PIPERIDINES AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 1996-05-15 EP disclosed
EP-0666856-A1 4-ARYLMETHYLOXYMETHYL PIPERIDINES AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 1995-08-16 EP disclosed
WO-1995004042-A1 4-PHENYL-4-PHENYLPROPYL(ENYL)-PIPERIDINES AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1995-02-09 WO disclosed