SCHEMBL16053274

SCHEMBL16053274

c1ccc(N2CCN(c3nc4cnccc4[nH]3)CC2)nc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.76
▸ RAB9A P51151 1/20 0.76
▸ DRD4 P21917 3/20 0.51
▸ DRD2 P14416 1/20 0.51
▸ SORD Q00796 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ OPRK1 P41145 1/20 0.50
▸ SIGMAR1 Q99720 1/20 0.50
▸ GAA P10253 1/20 0.47
▸ BCHE P06276 1/20 0.47
▸ ACHE P22303 1/20 0.47
▸ PLD1 Q13393 1/20 0.47
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ HTR3A P46098 1/20 0.46

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
SCHEMBL18381715 0.78 RAB9A (0.70) MAPTRAB9ADRD4DRD2SORD
SCHEMBL4105474 0.74 MAPT (0.67) MAPTRAB9A
SCHEMBL18641195 0.73 MAPT (0.66) MAPTRAB9ADRD4DRD2SORD
SCHEMBL29857922 0.72 PLD1 (0.73) MAPTRAB9ASORDALDH1A1CYP3A4
SCHEMBL21353591 0.72 — —
SCHEMBL15800694 0.72 PLD1 (0.73) MAPTRAB9ASORDALDH1A1CYP3A4
SCHEMBL18641176 0.70 MAPT (0.58) MAPTRAB9ADRD4DRD2ALDH1A1
SCHEMBL7978699 0.70 MAPT (0.52) MAPTRAB9AALDH1A1CYP3A4KDM4E
SCHEMBL16053272 0.69 HTR3A (0.41) MAPTRAB9ADRD4BCHEACHE
SCHEMBL16053273 0.69 PLD1 (0.39) MAPTRAB9ADRD4DRD2ALDH1A1

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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