SCHEMBL9689565

SCHEMBL9689565

Cc1c(C)c2c(c(C)c1O)CCC(C)(CNCCCc1ccccn1)O2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.45
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GSTP1 P09211 1/20 0.43
TTPA P49638 1/20 0.43
USP2 O75604 1/20 0.43
THRB P10828 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NR1I2 O75469 2/20 0.42
TDP1 Q9NUW8 1/20 0.40
BCHE P06276 8/20 0.40
ACHE P22303 8/20 0.40
ALOX5 P09917 2/20 0.40

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
SCHEMBL9689587 0.94 CYP4F2 (0.44) CYP4F2MAPTLMNAMEN1KMT2A
SCHEMBL9689581 0.89 CYP4F2 (0.45) CYP4F2MAPTLMNAMEN1KMT2A
SCHEMBL9467677 0.88 CYP4F2 (0.52) CYP4F2MAPTLMNAMEN1KMT2A
SCHEMBL9690167 0.84 MAPT (0.40) CYP4F2MAPTLMNAMEN1KMT2A
SCHEMBL9689071 0.82 ALOX5 (0.48) CYP4F2MAPTLMNAMEN1KMT2A
SCHEMBL9689556 0.80 CYP4F2 (0.43) CYP4F2MAPTLMNAMEN1KMT2A
SCHEMBL9690390 0.80 ALOX5 (0.50) CYP4F2MAPTLMNAMEN1KMT2A
SCHEMBL2059245 0.79 ACHE (0.56) BCHEACHE
SCHEMBL15820294 0.79 MAPT (0.53) CYP4F2MAPTLMNAMEN1KMT2A
SCHEMBL17372973 0.79 MAPT (0.44) CYP4F2MAPTLMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0487510-A1 Pharmaceutically active amines THE UPJOHN COMPANY (US) 1992-05-27 EP claimed
EP-0358676-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1990-03-21 EP claimed
WO-1988008424-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1988-11-03 WO claimed
EP-0358676-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1990-03-21 EP disclosed
WO-1988008424-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1988-11-03 WO disclosed