SCHEMBL6160260

SCHEMBL6160260

Nc1cccnc1NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.61
LMNA P02545 3/20 0.56
MAPT P10636 3/20 0.56
HTT P42858 3/20 0.56
KMT2A Q03164 2/20 0.56
NTSR1 P30989 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ACHE P22303 7/20 0.56
KDM4E B2RXH2 1/20 0.55
GAA P10253 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
GBA1 P04062 1/20 0.54
POLB P06746 1/20 0.54
BCHE P06276 1/20 0.51
BACE1 P56817 1/20 0.51
RAB9A P51151 2/20 0.51
RXFP1 Q9HBX9 2/20 0.51
SIGMAR1 Q99720 1/20 0.51
NOD2 Q9HC29 1/20 0.51
MEN1 O00255 1/20 0.51

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
SCHEMBL19086771 0.86 KDM4E (0.67) HRH3LMNAMAPTHTTKMT2A
SCHEMBL16007611 0.86 KDM4E (0.56) HRH3LMNAMAPTHTTKMT2A
SCHEMBL13003294 0.85 HRH3 (0.56) HRH3LMNAMAPTHTTKMT2A
SCHEMBL16007609 0.84 KDM4E (0.54) HRH3LMNAMAPTHTTKMT2A
SCHEMBL3138352 0.82 ACHE (0.59) HRH3LMNAMAPTHTTKMT2A
SCHEMBL13003296 0.81 ACHE (0.71) HRH3LMNAMAPTHTTKMT2A
SCHEMBL16007213 0.81 SIGMAR1 (0.57) HRH3LMNAMAPTHTTKMT2A
SCHEMBL5432812 0.81 ACHE (0.69) HRH3ACHEKDM4EGAABCHE
SCHEMBL16007613 0.81 SIGMAR1 (0.56) HRH3HTTKMT2AACHEKDM4E
SCHEMBL6166008 0.80 MAPK1 (0.69) HRH3MAPTHTTKMT2ANPSR1

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-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP 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