SCHEMBL9502822

SCHEMBL9502822

Cc1ccccc1CNC(COCC(C)C)CN1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 4/20 0.37
SLC6A3 Q01959 1/20 0.36
MEN1 O00255 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2A13 Q16696 1/20 0.34
GBA1 P04062 1/20 0.34
IDO1 P14902 1/20 0.34
ADRB1 P08588 1/20 0.33
MAPT P10636 1/20 0.33
ACHE P22303 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
SCHEMBL10518194 0.96 LMNA (0.46) LMNASLC6A2SLC6A4KDM4EKMT2A
SCHEMBL9502751 0.83 KDM4E (0.39) LMNAKDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL9502176 0.80 KDM4E (0.48) LMNAKDM4EKMT2APOLBALDH1A1
SCHEMBL9504097 0.77 KDM4E (0.45) LMNAKDM4EKMT2ASMN1; SMN2POLB
SCHEMBL9502833 0.76 SLC6A4 (0.44) LMNASLC6A2SLC6A4KDM4EKMT2A
SCHEMBL9501107 0.75 TSHR (0.48) LMNAKDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL593284 0.70 LMNA (0.96) LMNASLC6A2SLC6A4KDM4EKMT2A
Hydrochloric Acid SCHEMBL2924720 0.68 LMNA (1.00) LMNASLC6A2SLC6A4KDM4EKMT2A
Hydrochloric Acid SCHEMBL7417639 0.68 LMNA (1.00) LMNASLC6A2SLC6A4KDM4EKMT2A
SCHEMBL13995920 0.66 KDM4E (0.46) LMNAKDM4EKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0330910-B1 PROPANE DERIVATIVES KOWA COMPANY, LTD. (JP) 1993-05-12 EP claimed
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