SCHEMBL9689341

SCHEMBL9689341

CC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(CC(=O)N1CCN(Cc3ccccc3)CC1)O2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PDE4A P27815 1/20 0.47
PDE3A Q14432 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP2D6 P10635 2/20 0.40
TTPA P49638 2/20 0.40
ALOX5 P09917 1/20 0.39
PTPN1 P18031 1/20 0.38
GSTO1 P78417 1/20 0.38

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
SCHEMBL9690265 0.78 KMT2A (0.48) MEN1KMT2APDE4APDE3ALMNA
SCHEMBL11705132 0.77 MEN1 (0.61) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL11706067 0.77 MEN1 (0.61) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL11706578 0.77 MEN1 (0.61) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL10346941 0.76 CYP2C19 (0.53) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL9689458 0.76 MEN1 (0.60) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL11703482 0.76 MEN1 (0.60) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL11703489 0.76 MEN1 (0.60) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL9688320 0.76 MEN1 (0.41) MEN1KMT2APDE4APDE3AALDH1A1
SCHEMBL9258885 0.75 MEN1 (0.50) MEN1KMT2APDE4APDE3ATTPA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0358676-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1990-03-21 EP claimed
EP-0293078-A1 Pharmaceutically active amines THE UPJOHN COMPANY (US) 1988-11-30 EP claimed
WO-1988008424-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1988-11-03 WO claimed
US-5120843-A Nervous system disorders UPJOHN (US) 1992-06-09 US disclosed
EP-0487510-A1 Pharmaceutically active amines THE UPJOHN COMPANY (US) 1992-05-27 EP disclosed
EP-0358676-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1990-03-21 EP disclosed
EP-0293078-A1 Pharmaceutically active amines THE UPJOHN COMPANY (US) 1988-11-30 EP disclosed
WO-1988008424-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1988-11-03 WO disclosed