SCHEMBL5336571

SCHEMBL5336571

CCCCNC(=O)c1cc(I)cn2cc(-c3ccc(Cl)cc3)nc12

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.46
CNR2 P34972 3/20 0.46
KCNA3 P22001 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TMIGD3 P0DMS9 1/20 0.41
ALOX15 P16050 1/20 0.40

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
SCHEMBL5344138 0.89 TMIGD3 (0.44) CNR1CNR2KCNA3HPGDKDM4E
SCHEMBL5341400 0.79 DHODH (0.51) HPGDKDM4EALDH1A1HSD17B10TMIGD3
SCHEMBL5337094 0.74 ALDH1A1 (0.54) CNR1HPGDKDM4EALDH1A1
SCHEMBL5337257 0.72 ALDH1A1 (0.54) CNR1HPGDKDM4EALDH1A1
SCHEMBL5343950 0.72 NPC1 (0.53) CNR1HPGDKDM4EALDH1A1
SCHEMBL5344215 0.68 DHODH (0.56) KDM4EALDH1A1TMIGD3
SCHEMBL5336574 0.67 TP53 (0.48) CNR1CNR2HPGDKDM4EALDH1A1
SCHEMBL5355542 0.67 CNR1 (0.59) CNR1CNR2HPGDKDM4EALDH1A1
SCHEMBL5337097 0.66 SPTLC1 (0.53) CNR1CNR2KCNA3HPGDKDM4E
SCHEMBL10792063 0.66 POLB (0.82) HPGDKDM4EALDH1A1TSHRALOX15

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-2007086080-A2 NOVEL IMIDAZO[1,2-a]PYRIDINE CANNABINOID RECEPTOR LIGANDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LIMITED (IN) 2007-08-02 WO claimed
WO-2007086080-A2 NOVEL IMIDAZO[1,2-a]PYRIDINE CANNABINOID RECEPTOR LIGANDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LIMITED (IN) 2007-08-02 WO disclosed