SCHEMBL16053272

SCHEMBL16053272

c1ccc(C2CNCCN2c2nc3cnccc3[nH]2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ BCHE P06276 2/20 0.38
▸ ACHE P22303 2/20 0.38
▸ LATS1 O95835 1/20 0.38
▸ CYP2D6 P10635 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ METAP2 P50579 2/20 0.35
▸ METAP1 P53582 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ TRPC3 Q13507 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ ROCK1 Q13464 2/20 0.33
▸ TP53 P04637 1/20 0.33

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
SCHEMBL16053273 0.78 PLD1 (0.39) MAPTRAB9ADRD4LATS1CYP2D6
SCHEMBL20586173 0.78 DRD4 (0.37) MAPTRAB9ADRD4BCHEACHE
SCHEMBL20993537 0.73 HTR3A (0.41) HTR3ADRD4CYP2D6SLC6A2SLC6A4
SCHEMBL20993629 0.73 HTR3A (0.41) HTR3ADRD4CYP2D6SLC6A2SLC6A4
SCHEMBL24352612 0.73 HTR3A (0.41) HTR3ADRD4CYP2D6SLC6A2SLC6A4
SCHEMBL9984343 0.72 HTR2A (0.39) MAPTCYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL31232802 0.70 PLD1 (0.42) MAPTRAB9AHTR2AHTR2CHTR2B
SCHEMBL12807031 0.70 SLC6A2 (0.49) HTR3AMAPTCYP2D6SLC6A2SLC6A4
SCHEMBL16053274 0.69 MAPT (0.76) HTR3AMAPTRAB9ADRD4BCHE
SCHEMBL6110760 0.69 HTR2C (0.38) MAPTCYP2D6SLC6A2SLC6A4SLC6A3

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
EP-2970260-A1 IMIDAZO[4,5-C]PYRIDINE AND PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS SSAO INHIBITORS Proximagen Limited (GB) 2016-01-20 — — EP disclosed
WO-2014140592-A1 IMIDAZO[4,5-C]PYRIDINE AND PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS SSAO INHIBITORS PROXIMAGEN LIMITED (GB) 2014-09-18 — — WO disclosed
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