SCHEMBL9502833

SCHEMBL9502833

Cc1ccccc1CNC(CCOCC(C)C)N1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.44
SLC6A2 P23975 10/20 0.44
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.40
KCNH2 Q12809 5/20 0.35
TACR1 P25103 3/20 0.35
SLC6A3 Q01959 6/20 0.35
CYP2D6 P10635 3/20 0.34
HTR7 P34969 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GBA1 P04062 1/20 0.33
CACNA1F O60840 1/20 0.33
CYP3A4 P08684 1/20 0.33
CACNA1D Q01668 1/20 0.33
CACNA1S Q13698 1/20 0.33
CACNA1C Q13936 1/20 0.33

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
SCHEMBL9504013 0.83 KDM4E (0.40) KDM4ECYP2D6KMT2AMEN1
SCHEMBL9502192 0.81 TDP1 (0.43) LMNAKDM4ECYP2D6KMT2AMEN1
SCHEMBL9502822 0.76 LMNA (0.50) SLC6A4SLC6A2LMNAKDM4ESLC6A3
SCHEMBL9501470 0.76 KDM4E (0.38) LMNAKDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL9502149 0.75 TSHR (0.48) LMNAKDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL10518194 0.73 LMNA (0.46) SLC6A4SLC6A2LMNAKDM4ESLC6A3
SCHEMBL8635727 0.69 CHRM2 (0.54) LMNAKDM4E
SCHEMBL593284 0.63 LMNA (0.96) SLC6A4SLC6A2LMNAKDM4EKMT2A
SCHEMBL8750527 0.63 TACR1 (0.42) SLC6A4SLC6A2LMNAKDM4EKCNH2
SCHEMBL607717 0.62 ADRA2C (0.58) LMNAKDM4EKMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0330910-B1 PROPANE DERIVATIVES KOWA COMPANY, LTD. (JP) 1993-05-12 EP disclosed
US-4960883-A Cardiovascular disorders KOWA COMPANY, LTD. (JP) 1990-10-02 US disclosed