SCHEMBL9737262

SCHEMBL9737262

Cn1cc(CC(OCC(O)CN2CCOCC2)C(=O)c2ccccc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 13/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
HIF1A Q16665 1/20 0.45
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
PKM P14618 1/20 0.43

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
SCHEMBL9736627 0.90 MEN1 (0.43) ABCB1POLBALDH1A1LMNAKMT2A
Hydrochloric Acid SCHEMBL10829995 0.86 POLB (0.57) ABCB1POLBALDH1A1LMNAMAPT
SCHEMBL9735892 0.85 ABCB1 (0.51) ABCB1KMT2A
SCHEMBL9735739 0.83 OPRM1 (0.37) ALDH1A1KMT2APKM
SCHEMBL9736504 0.81 OPRM1 (0.40) KMT2AADRB2ADRB1ADRB3
Hydrochloric Acid SCHEMBL10829733 0.78 POLB (0.50) ABCB1POLBALDH1A1LMNAKMT2A
SCHEMBL10829982 0.77 MAPK1 (0.55) ABCB1ALDH1A1HTTRAB9AATM
SCHEMBL9737525 0.77 KDM4E (0.38) POLBKMT2AADRB2ADRB1ADRB3
SCHEMBL10829644 0.77 MEN1 (0.59) ABCB1POLBALDH1A1KMT2A
SCHEMBL9735615 0.76 LMNA (0.44) ABCB1POLBALDH1A1LMNAMAPT

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-5118685-A Antiarrhythmia agents BASF AKTIENGESELLSCHAFT (DE) 1992-06-02 US disclosed