SCHEMBL8364110

SCHEMBL8364110

CCCCCCCCCCCCCCCCOc1ccccc1CN(C)C(=O)CCCCCN

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.60
BCHE P06276 8/20 0.60
CHRM2 P08172 2/20 0.49
CHRM1 P11229 1/20 0.49
MEN1 O00255 1/20 0.48
NR1I2 O75469 1/20 0.48
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.48
ADRA2A P08913 1/20 0.48
MAPT P10636 1/20 0.48
OPRK1 P41145 1/20 0.48
HTR2B P41595 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KMT2A Q03164 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
PPARD Q03181 2/20 0.46
THRA P10827 2/20 0.45
THRB P10828 1/20 0.45
LTB4R Q15722 1/20 0.44
LTB4R2 Q9NPC1 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
SCHEMBL8364111 1.00 ACHE (0.60) ACHEBCHECHRM2CHRM1MEN1
Hydrochloric Acid SCHEMBL9116685 0.99 ACHE (0.59) ACHEBCHECHRM2CHRM1MEN1
Hydrochloric Acid SCHEMBL9117768 0.99 ACHE (0.59) ACHEBCHECHRM2CHRM1MEN1
SCHEMBL9117543 0.96 ACHE (0.58) ACHEBCHECHRM2CHRM1MEN1
Hydrochloric Acid SCHEMBL9117790 0.95 ACHE (0.57) ACHEBCHECHRM2CHRM1MEN1
Hydrochloric Acid SCHEMBL9115870 0.92 ACHE (0.52) ACHEBCHECHRM2CHRM1MEN1
SCHEMBL9119545 0.88 BCHE (0.63) ACHEBCHECHRM2CHRM1MEN1
SCHEMBL8368769 0.88 ACHE (0.54) ACHEBCHECHRM2CHRM1KMT2A
Hydrochloric Acid SCHEMBL9282714 0.87 ACHE (0.53) ACHEBCHECHRM2CHRM1KMT2A
SCHEMBL9238759 0.84 ACHE (0.50) ACHEBCHECHRM2MEN1NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0738144-A4 PHENYLMETHYL HEXANAMIDES, AND THE USE THEREOF SMITHKLINE BEECHAM CORP (US) 1999-06-30 EP claimed
EP-0738144-A1 PHENYLMETHYL HEXANAMIDES, AND THE USE THEREOF SMITHKLINE BEECHAM CORPORATION (US) 1996-10-23 EP claimed
WO-1995017888-A1 PHENYLMETHYL HEXANAMIDES, AND THE USE THEREOF SMITHKLINE BEECHAM CORPORATION (US) 1995-07-06 WO claimed
EP-0738144-A4 PHENYLMETHYL HEXANAMIDES, AND THE USE THEREOF SMITHKLINE BEECHAM CORP (US) 1999-06-30 EP disclosed
EP-0738144-A1 PHENYLMETHYL HEXANAMIDES, AND THE USE THEREOF SMITHKLINE BEECHAM CORPORATION (US) 1996-10-23 EP disclosed
WO-1995017888-A1 PHENYLMETHYL HEXANAMIDES, AND THE USE THEREOF SMITHKLINE BEECHAM CORPORATION (US) 1995-07-06 WO disclosed