SCHEMBL6166008

SCHEMBL6166008

O=[N+]([O-])c1cccnc1NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.69
SIGMAR1 Q99720 6/20 0.60
MAPT P10636 3/20 0.60
RAB9A P51151 2/20 0.60
PKM P14618 1/20 0.60
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
NPSR1 Q6W5P4 1/20 0.56
ACHE P22303 2/20 0.53
BCHE P06276 1/20 0.53
BACE1 P56817 1/20 0.53
NPC1 O15118 1/20 0.52
HTT P42858 2/20 0.52
ALDH1A1 P00352 1/20 0.52
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
DRD2 P14416 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
SCHEMBL7506777 0.83 MAPK1 (0.47) MAPK1SIGMAR1MAPTRAB9APKM
SCHEMBL6159635 0.82 MAPK1 (1.00) MAPK1SIGMAR1MAPTRAB9APKM
SCHEMBL929085 0.81 MAPT (0.50) MAPK1MAPTRAB9APKMMEN1
Hydrochloric Acid SCHEMBL11102389 0.81 MAPK1 (0.97) MAPK1SIGMAR1MAPTRAB9APKM
SCHEMBL19086771 0.81 KDM4E (0.67) MAPK1SIGMAR1MAPTRAB9AMEN1
SCHEMBL16007611 0.81 KDM4E (0.56) MAPK1SIGMAR1MAPTRAB9AMEN1
SCHEMBL15204677 0.80 SMN1; SMN2 (0.48) MAPK1SIGMAR1MAPTRAB9AMEN1
SCHEMBL15204675 0.80 SMN1; SMN2 (0.48) MAPK1SIGMAR1MAPTRAB9AMEN1
SCHEMBL6160260 0.80 HRH3 (0.61) MAPK1SIGMAR1MAPTRAB9AMEN1
SCHEMBL12893601 0.79 MAPK1 (0.52) MAPK1SIGMAR1MAPTRAB9APKM

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 7 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
WO-2004093821-A2 TREATMENT OF ANTHRAX INFECTION USING INHIBITORS OF LETHAL FACTOR PROTEASE ACTIVITY HAWAII BIOTECH, INC. (US) 2004-11-04 WO disclosed
EP-1171122-A4 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2002-05-29 EP disclosed
EP-1171122-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2002-01-16 EP disclosed
US-6248755-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS; AUTOIMMUNE DISEASES MERCK & CO., INC. 2001-06-19 US disclosed
WO-2000059502-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-10-12 WO disclosed
US-5936089-A PIPERIDINE DERIVATIVES; BONE DISORDERS; OBESITY; AGING; CACHEXIA ASSOCIATED WITH AIDS AND CANCER PFIZER INC (US) 1999-08-10 US disclosed