SCHEMBL17340662

SCHEMBL17340662

O=Nc1c(CN2CCC(N3CCCCC3)CC2)ccn(Cc2ccccc2)c1=O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VEGFA P15692 6/20 0.49
EGLN1 Q9GZT9 6/20 0.49
RECQL P46063 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TSHR P16473 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HRH3 Q9Y5N1 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
MBTD1 Q05BQ5 2/20 0.42
L3MBTL3 Q96JM7 2/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
ALOX15 P16050 1/20 0.41
CHRM1 P11229 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
SCHEMBL17340661 0.89 VEGFA (0.57) VEGFAEGLN1L3MBTL1TSHRALDH1A1
SCHEMBL272075 0.85 VEGFA (0.70) VEGFAEGLN1RECQLL3MBTL1TSHR
SCHEMBL17340697 0.84 VEGFA (0.67) VEGFAEGLN1ALDH1A1SMN1; SMN2DRD4
SCHEMBL5267745 0.84 VEGFA (0.69) VEGFAEGLN1RECQLL3MBTL1TSHR
SCHEMBL6212951 0.76 L3MBTL3 (0.66) RECQLL3MBTL1TSHRALDH1A1SMN1; SMN2
SCHEMBL17340685 0.76 EGLN1 (0.50) VEGFAEGLN1ALDH1A1
SCHEMBL15314777 0.75 CNR2 (0.42) VEGFAEGLN1ALDH1A1
Hydrochloric Acid SCHEMBL28690097 0.75 L3MBTL3 (0.64) RECQLL3MBTL1TSHRALDH1A1SMN1; SMN2
SCHEMBL13990656 0.74 L3MBTL3 (0.68) RECQLL3MBTL1TSHRALDH1A1SMN1; SMN2
SCHEMBL277668 0.72 EGLN1 (0.85) VEGFAEGLN1HRH3SMN1; SMN2

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
EP-2954899-A1 COMPOSITIONS AND METHODS FOR TREATING COLITIS Aerpio Therapeutics, Inc. (US) 2015-12-16 EP disclosed