SCHEMBL10767289

SCHEMBL10767289

Nc1cc(N2CCN(c3cc[c]cc3)CC2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.39
GCK P35557 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
CDK2 P24941 3/20 0.37
CDC7 O00311 1/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 3/20 0.37
ALOX12 P18054 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
CHKA P35790 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CDK1 P06493 2/20 0.35

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
SCHEMBL1097561 0.80 CHKA (0.52) HRH4MEN1KMT2AGAALMNA
SCHEMBL16212228 0.80 HRH4 (0.47) HRH4MEN1KMT2AGLAGAA
SCHEMBL10771091 0.80 HRH4 (0.42) HRH4MEN1KMT2AGLAGAA
SCHEMBL30321663 0.79 LGMN (0.53) CDK2LMNAMAPTSMN1; SMN2CDK1
SCHEMBL3173446 0.79 GAA (0.60) HRH4MEN1KMT2AGLAGAA
SCHEMBL114416 0.79 LGMN (0.53) CDK2LMNAMAPTSMN1; SMN2CDK1
SCHEMBL6262576 0.79 HRH4 (0.54) HRH4MEN1KMT2AGAALMNA
SCHEMBL5847761 0.79 HRH4 (0.54) HRH4MEN1KMT2AGAALMNA
SCHEMBL20557381 0.79 CDC7 (0.42) HRH4GCKMEN1KMT2AGLA
SCHEMBL21590373 0.78 HRH3 (0.53) HRH4MEN1KMT2ACDK2KDM4E

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-0244115-A2 Phenyl-piperazine anti-arrhythmia agents Pfizer Limited (GB) 1987-11-04 EP disclosed