SCHEMBL4368252

SCHEMBL4368252

CN(C)C(=O)c1ccc(-c2cnc(CN(C3CC3)C3CCN(C(=O)c4ccc(Cl)c(Cl)c4)CC3)cn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.39
HSD11B1 P28845 1/20 0.39

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
SCHEMBL4057842 0.92 HTR1A (0.43) HTR1ATSHRHPGDHSD11B1
SCHEMBL13690619 0.87 ATR (0.41) HTR1ATSHR
SCHEMBL13690494 0.86 TSHR (0.41) HTR1ATSHR
SCHEMBL13690337 0.83 HPGD (0.47) HTR1ATSHRKMT2AHPGDHSD11B1
SCHEMBL4062791 0.82 HTR1A (0.44) HTR1ATSHR
SCHEMBL13690488 0.81 GPR119 (0.53)
SCHEMBL13690407 0.81 ATR (0.43) HTR1ATSHR
SCHEMBL4050804 0.79 HTR1A (0.41) HTR1ATSHR
SCHEMBL13690522 0.79 ATR (0.42) HTR1ATSHR
SCHEMBL13690530 0.79 ATR (0.47) TSHRKMT2AHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009106561-A1 PYRAZINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2009-09-03 WO disclosed
WO-2009106561-A1 PYRAZINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2009-09-03 WO disclosed