SCHEMBL10568220

SCHEMBL10568220

OC[C@@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.73
MEN1 O00255 5/20 0.73
OPRM1 P35372 2/20 0.73
OPRD1 P41143 1/20 0.73
ADRA2A P08913 2/20 0.64
ADRA2B P18089 1/20 0.64
ADRA2C P18825 1/20 0.64
IGF1R P08069 1/20 0.62
HTR1A P08908 1/20 0.55
DRD2 P14416 1/20 0.55
HTR7 P34969 1/20 0.55
ATM Q13315 1/20 0.55
CYP2D6 P10635 4/20 0.54
LMNA P02545 3/20 0.54
USP2 O75604 1/20 0.54
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.54
GAA P10253 1/20 0.54
THRB P10828 1/20 0.54
ALOX15 P16050 1/20 0.54

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
SCHEMBL7276991 1.00 KMT2A (0.73) KMT2AMEN1OPRM1OPRD1ADRA2A
SCHEMBL11220573 0.91 CYP2D6 (0.65) KMT2AMEN1OPRM1OPRD1ADRA2A
SCHEMBL7266954 0.85 KMT2A (0.71) KMT2AMEN1OPRM1OPRD1IGF1R
SCHEMBL10992721 0.85 MEN1 (1.00) KMT2AMEN1OPRM1OPRD1IGF1R
SCHEMBL7267603 0.84 IGF1R (0.66) KMT2AMEN1OPRM1OPRD1ADRA2A
SCHEMBL9123119 0.83 MEN1 (0.73) KMT2AMEN1OPRM1OPRD1ADRA2A
Hydrochloric Acid SCHEMBL10990138 0.83 MEN1 (0.97) KMT2AMEN1OPRM1OPRD1IGF1R
SCHEMBL6161637 0.83 KMT2A (0.68) KMT2AMEN1OPRM1OPRD1IGF1R
SCHEMBL11133461 0.81 KMT2A (0.72) KMT2AMEN1OPRM1OPRD1IGF1R
SCHEMBL16109403 0.81 OPRM1 (0.71) KMT2AMEN1OPRM1OPRD1

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-4849423-A Purine derivatives, medicaments containing them and methods of treating cardiac insufficiencies and irregularities with them. SANDOZ LTD. (CH) 1989-07-18 US disclosed