SCHEMBL6161819

SCHEMBL6161819

CCOC(=O)c1ccc2c(c1)CN(Cc1ccccc1)C2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.58
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NPC1 O15118 1/20 0.54
TNF P01375 1/20 0.54
RAB9A P51151 1/20 0.54
NOD2 Q9HC29 1/20 0.54
NOD1 Q9Y239 1/20 0.54
LMNA P02545 2/20 0.54
MAPK1 P28482 2/20 0.54
OPRM1 P35372 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
HDAC6 Q9UBN7 1/20 0.48
KCNH2 Q12809 1/20 0.48
HDAC1 Q13547 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
DRD4 P21917 1/20 0.48

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
SCHEMBL1205833 0.87 ACACB (0.55) MEN1KMT2AOPRM1SMN1; SMN2HDAC6
Hydrochloric Acid SCHEMBL3095011 0.86 ACACB (0.54) MEN1KMT2AOPRM1SMN1; SMN2HDAC6
SCHEMBL8122252 0.82 HDAC1 (0.55) MEN1KMT2ALMNAMAPK1OPRM1
Benzylamine SCHEMBL8532295 0.81 LOXL2 (0.56) MEN1KMT2AOPRM1SMN1; SMN2HDAC6
Hydrochloric Acid SCHEMBL7040966 0.81 HDAC1 (0.54) MEN1KMT2ALMNAMAPK1OPRM1
Hydrochloric Acid SCHEMBL7041877 0.81 HDAC1 (0.54) MEN1KMT2ALMNAMAPK1OPRM1
SCHEMBL29986768 0.80 ACACB (0.49) MEN1KMT2AOPRM1SMN1; SMN2HDAC6
SCHEMBL7041614 0.80 OPRM1 (0.64) MEN1KMT2AOPRM1HDAC6KCNH2
Hydrochloric Acid SCHEMBL7041875 0.80 HDAC1 (0.53) MEN1KMT2ALMNAMAPK1OPRM1
SCHEMBL29986857 0.79 CYP3A4 (0.51) MEN1KMT2ARAB9AOPRM1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP disclosed
US-5936089-A PIPERIDINE DERIVATIVES; BONE DISORDERS; OBESITY; AGING; CACHEXIA ASSOCIATED WITH AIDS AND CANCER PFIZER INC (US) 1999-08-10 US disclosed
EP-0828754-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER INC. (US) 1998-03-18 EP disclosed
WO-1996038471-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER INC. (US) 1996-12-05 WO disclosed
WO-1996035713-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER, INC. (US) 1996-11-14 WO disclosed