SCHEMBL7415229

SCHEMBL7415229

O=C(c1cccc(C(F)(F)F)c1)C1CCN(CCCOc2ccccc2)C1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
ALDH1A1 P00352 3/20 0.52
LMNA P02545 4/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GAA P10253 2/20 0.50
HRH2 P25021 1/20 0.50
HRH1 P35367 1/20 0.50
KDM2B Q8NHM5 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
HTR1A P08908 1/20 0.49
HTR7 P34969 1/20 0.49
KDM4E B2RXH2 2/20 0.49
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
HTT P42858 1/20 0.48

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
SCHEMBL7415366 0.81 KDM4E (0.66) KMT2AMEN1ALDH1A1LMNANPSR1
SCHEMBL11521377 0.80 LMNA (0.57) KMT2AMEN1ALDH1A1LMNANPSR1
SCHEMBL7408332 0.77 HRH3 (0.51) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL9650084 0.77 HTR2A (0.71) LMNAHTR7KDM4E
Hydrochloric Acid SCHEMBL7404506 0.76 HRH3 (0.50) KMT2AMEN1ALDH1A1LMNAGAA
Hydrochloric Acid SCHEMBL9649714 0.76 HTR2A (0.70) LMNAHTR7KDM4EOPRM1OPRD1
SCHEMBL6211935 0.74 LTA4H (0.60) HRH2HRH1
SCHEMBL1583103 0.74 KDM4E (0.69) KDM4E
SCHEMBL10692369 0.74 KMT2A (0.53) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL7253842 0.73 HTR2A (0.64) KDM4E

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
US-5198449-A N-substituted alpha-arylazacycloalkylmethanamines and their use as cardiovascular agents A. H. ROBINS COMPANY INCORPORATED (US) 1993-03-30 US disclosed