SCHEMBL13690604

SCHEMBL13690604

COC(=O)Nc1ccc(-c2cnc(CN(C3CC3)C3CCN(c4ncccn4)CC3)cn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 6/20 0.40
MCHR1 Q99705 3/20 0.40
HTT P42858 1/20 0.40
TSHR P16473 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 2/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DRD2 P14416 2/20 0.37
DRD4 P21917 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL13690785 0.84 ATR (0.48) MCHR1
SCHEMBL4051798 0.83 SCN9A (0.39) RXFP1ALDH1A1KDM4EHTTTSHR
SCHEMBL4048220 0.82 GPR119 (0.44) MCHR1
SCHEMBL13690775 0.82 NAMPT (0.40) MAPTALDH1A1MCHR1MAPK1
SCHEMBL13690494 0.79 TSHR (0.41) TSHR
SCHEMBL4059822 0.77 MCHR1 (0.41) MAPTLMNAMCHR1HTTKMT2A
SCHEMBL4049785 0.76 GPR119 (0.40) KDM4EMAPK1
SCHEMBL4052001 0.74 GPR119 (0.42) MAPTMCHR1
SCHEMBL4543729 0.74 MCHR1 (0.43) ALDH1A1KDM4EMCHR1TSHRNPC1
SCHEMBL13690402 0.74 GPR119 (0.46) MCHR1

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