SCHEMBL13690337

SCHEMBL13690337

O=C(c1ccc(Cl)c(Cl)c1)N1CCC(N(Cc2cnc(Cl)cn2)C2CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
HSD11B1 P28845 1/20 0.46
PKM P14618 1/20 0.44
HTR1A P08908 2/20 0.44
KMT2A Q03164 1/20 0.43

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
SCHEMBL4057691 0.89 TSHR (0.48) HPGDTSHRHSD11B1HTR1A
SCHEMBL4056913 0.86 CYP3A4 (0.47) KMT2A
SCHEMBL4368252 0.83 HTR1A (0.42) HPGDTSHRHSD11B1HTR1AKMT2A
SCHEMBL13690494 0.82 TSHR (0.41) TSHRHTR1A
SCHEMBL13690619 0.81 ATR (0.41) TSHRHTR1A
SCHEMBL4054057 0.81 SIRT6 (0.33) KMT2A
SCHEMBL13690386 0.75 NAMPT (0.33)
SCHEMBL4057842 0.75 HTR1A (0.43) HPGDTSHRHSD11B1HTR1A
SCHEMBL13690725 0.74 L3MBTL3 (0.46) KMT2A
SCHEMBL4057361 0.74 GPR119 (0.45)

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 1 patent. 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