SCHEMBL2551572

SCHEMBL2551572

O=C(O)N1CCN(C2CCN(CC3CC3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
ACHE P22303 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CCR2 P41597 1/20 0.38
POLB P06746 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL3825062 0.85 SMN1; SMN2 (0.44) KDM4ETDP1SMN1; SMN2ALDH1A1CCR2
SCHEMBL29579349 0.83 CACNA2D1 (0.40) KDM4ETDP1SMN1; SMN2ALDH1A1POLB
SCHEMBL4461541 0.81 ACHE (0.46) KDM4ETDP1SMN1; SMN2ACHEALDH1A1
SCHEMBL2553841 0.79 HRH3 (0.44) KDM4EALDH1A1POLBHRH3
SCHEMBL65329 0.79 HRH3 (0.47) KDM4EALDH1A1POLBHRH3
SCHEMBL4668202 0.79 SMN1; SMN2 (0.47) KDM4ETDP1SMN1; SMN2ALDH1A1CCR2
SCHEMBL13734715 0.79 HRH3 (0.42) KDM4EALDH1A1POLBHRH3
SCHEMBL4321277 0.78 SMN1; SMN2 (0.54) KDM4ETDP1SMN1; SMN2ACHECCR2
SCHEMBL209863 0.78 SMN1; SMN2 (0.50) KDM4ETDP1SMN1; SMN2ACHEALDH1A1
SCHEMBL30486069 0.77 PLG (0.46) KDM4EALDH1A1POLBHRH3

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-2011121223-A1 6-(ALKYL- OR CYCLOALKYL-TRIAZOLOPYRIDAZINE-SULFANYL) BENZOTHIAZOLE DERIVATIVES: PREPARATION, APPLICATION AS MEDICAMENTS AND USE AS MET INHIBITORS SANOFI-AVENTIS (FR) 2011-10-06 WO disclosed