SCHEMBL21241225

SCHEMBL21241225

C=C(OC(C)(C)C)N1CCN(c2cc(C)ccn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.42
▸ GRIN3B O60391 1/20 0.42
▸ GRIN1 Q05586 1/20 0.42
▸ GRIN2A Q12879 1/20 0.42
▸ GRIN2B Q13224 1/20 0.42
▸ GRIN2C Q14957 1/20 0.42
▸ GRIN3A Q8TCU5 1/20 0.42
▸ CPT2 P23786 1/20 0.41
▸ CPT1A P50416 1/20 0.41
▸ CPT1B Q92523 1/20 0.41
▸ KDM4E B2RXH2 6/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HSD17B10 Q99714 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
SCHEMBL113805 0.84 GPR119 (0.55) SMN1; SMN2ALDH1A1LMNAGPR119LRRK2
SCHEMBL7932466 0.80 PANK3 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18949715 0.78 GRIN2D (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7936728 0.77 GPR119 (0.53) SMN1; SMN2HPGDHTTALDH1A1LMNA
SCHEMBL15450884 0.75 KDM4E (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20339529 0.75 KDM4E (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27013486 0.74 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL390651 0.73 NOS1 (0.49) CPT2CPT1ACPT1BKDM4ESMN1; SMN2
SCHEMBL12696765 0.73 GPR119 (0.47) KDM4ESMN1; SMN2HPGDHTTALDH1A1
SCHEMBL15228419 0.72 GPR119 (0.56) ALDH1A1LMNAGPR119LRRK2MAPT

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-2019149260-A1 PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2019-08-08 — — WO disclosed
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