SCHEMBL5774818

SCHEMBL5774818

C=C(c1cc(C)sc1C)N1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HTR1A P08908 3/20 0.36
HPGD P15428 3/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 3/20 0.35
ATM Q13315 1/20 0.35
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.34
GAA P10253 2/20 0.33
USP2 O75604 1/20 0.33
PKM P14618 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL4164480 0.77 HPGD (0.53) TSHRALDH1A1HPGDMAPK1KMT2A
SCHEMBL4962007 0.71 GAA (0.35) ALDH1A1HPGDMAPK1KMT2AMAPT
SCHEMBL17614072 0.70 ALDH1A1 (0.34) TSHRALDH1A1HTR1AMAPK1MAPT
SCHEMBL4735120 0.67 HTT (0.56) ALDH1A1HPGDMAPK1KMT2AATM
SCHEMBL4963151 0.66 HPGD (0.44) TSHRALDH1A1HPGDRAB9A
SCHEMBL21148184 0.66 HPGD (0.46) TSHRALDH1A1HPGDKMT2AMEN1
SCHEMBL4574595 0.66 LMNA (0.46) TSHRALDH1A1HPGDMAPK1KMT2A
SCHEMBL13889735 0.65 ALDH1A1 (0.36) TSHRALDH1A1HTR1AMAPK1MAPT
SCHEMBL8129965 0.64 HPGD (0.36) ALDH1A1HPGDMAPK1KMT2APKM
SCHEMBL8235053 0.64 HPGD (0.51) TSHRALDH1A1HPGDNPC1RAB9A

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-1054887-B1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC (US) 2006-04-12 EP disclosed
US-6583154-B1 Neuropeptide Y antagonist; pyrrolo-(3,2-b)pyridines and pyrrolo-(3,2-d)pyrimidines AMGEN INC. 2003-06-24 US disclosed
US-6187777-B1 PYRROLO(3,2-D)PYRIMIDINE DERIVATIVES; NEUROPEPTIDE Y AND CORTICOTROPIN RELEASING FACTOR MODULATORS; DIETETICS; ANTIDIABETIC, ANTIINFLAMMATORY, AND ANTITUMOR AGENTS AMGEN INC. 2001-02-13 US disclosed
EP-1054887-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS Amgen Inc. (US) 2000-11-29 EP disclosed
WO-1999040091-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC. (US) 1999-08-12 WO disclosed