SCHEMBL6161561

SCHEMBL6161561

O=[N+]([O-])c1cc(Cl)ccc1NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.80
MAPT P10636 3/20 0.80
PKM P14618 1/20 0.80
RAB9A P51151 1/20 0.80
NPSR1 Q6W5P4 1/20 0.74
ALDH1A1 P00352 3/20 0.67
HTT P42858 2/20 0.67
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
LMNA P02545 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
BCHE P06276 3/20 0.55
ACHE P22303 3/20 0.55
FAAH O00519 1/20 0.55
SIGMAR1 Q99720 2/20 0.54
POLB P06746 2/20 0.54
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53
BACE1 P56817 2/20 0.53

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
SCHEMBL8884292 0.91 MAPK1 (0.77) MAPK1MAPTPKMRAB9ANPSR1
SCHEMBL6585695 0.88 MAPK1 (0.78) MAPK1MAPTPKMRAB9ANPSR1
SCHEMBL3288703 0.88 MAPK1 (0.78) MAPK1MAPTPKMRAB9ANPSR1
SCHEMBL6159635 0.87 MAPK1 (1.00) MAPK1MAPTPKMRAB9ANPSR1
Hydrochloric Acid SCHEMBL11102389 0.86 MAPK1 (0.97) MAPK1MAPTPKMRAB9ANPSR1
SCHEMBL3604839 0.85 MAPK1 (0.74) MAPK1MAPTPKMRAB9ANPSR1
SCHEMBL6819927 0.82 MAPK1 (0.80) MAPK1MAPTPKMRAB9ANPSR1
SCHEMBL2728614 0.81 HCAR3 (0.64) MAPK1MAPTPKMRAB9ANPSR1
SCHEMBL22495122 0.81 HCAR3 (0.59) MAPK1MAPTPKMRAB9ANPSR1
SCHEMBL4069632 0.81 MEN1 (0.76) MAPK1MAPTPKMRAB9ANPSR1

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 3 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
CN-1143647-A Dipeptides which promote release of growth hormone PFIZER (US) 1997-02-26 CN disclosed