SCHEMBL7323131

SCHEMBL7323131

O=C(COc1ccc(F)cc1)N1CCN(CC2CC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.61
KMT2A Q03164 4/20 0.61
POLB P06746 2/20 0.61
MEN1 O00255 2/20 0.61
ENPP2 Q13822 2/20 0.56
ALDH1A1 P00352 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MAPT P10636 2/20 0.55
GAA P10253 1/20 0.55
RAB9A P51151 1/20 0.55
KDM4E B2RXH2 3/20 0.53
ALOX15 P16050 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 1/20 0.51
MAPK1 P28482 2/20 0.50
USP2 O75604 1/20 0.50
DRD2 P14416 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50

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
SCHEMBL1730431 0.86 FKBP1A (0.79) FKBP1AKMT2APOLBMEN1ENPP2
SCHEMBL4386067 0.80 FKBP1A (0.63) FKBP1AKMT2APOLBMEN1ENPP2
SCHEMBL15134808 0.79 L3MBTL1 (0.70) FKBP1AKMT2APOLBMEN1ENPP2
SCHEMBL4380513 0.79 FKBP1A (0.61) FKBP1AKMT2APOLBMEN1ENPP2
SCHEMBL4378928 0.79 KDM4E (0.73) FKBP1AKMT2APOLBMEN1ALDH1A1
SCHEMBL3767619 0.78 KDM4E (0.61) FKBP1AKMT2APOLBMEN1ALDH1A1
SCHEMBL5056244 0.78 KMT2A (0.67) FKBP1AKMT2APOLBMEN1ALDH1A1
SCHEMBL4378521 0.78 KDM4E (0.71) FKBP1AKMT2APOLBMEN1ALDH1A1
SCHEMBL5059586 0.77 CYP3A4 (0.69) FKBP1AKMT2APOLBMEN1ALDH1A1
SCHEMBL5059273 0.77 CYP3A4 (0.69) FKBP1AKMT2APOLBMEN1ALDH1A1

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-4474783-A CARDIAC DISEASES SYMPTOMIZED BY LOW CARIAC FLOW INNOTHERA (FR) 1984-10-02 US disclosed