SCHEMBL9230552

SCHEMBL9230552

CCC(C)(C)NCCC(c1ccccc1)c1cc(C)ccc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 10/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
RECQL P46063 1/20 0.38
OPRD1 P41143 2/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 2/20 0.37
NSD2 O96028 1/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 3/20 0.37
ALOX12 P18054 2/20 0.37
HTT P42858 2/20 0.37
LPAR1 Q92633 1/20 0.37
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
ALPG P10696 1/20 0.37
ESR1 P03372 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37

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
SCHEMBL9228001 0.91 POLB (0.38) KMT2AMEN1L3MBTL1LPAR1ALDH1A1
SCHEMBL9756347 0.89 KMT2A (0.43) KMT2AGAAMEN1L3MBTL1OPRD1
Iodide SCHEMBL6674629 0.81 HTR2A (0.53) KMT2AGAAMEN1L3MBTL1OPRM1
SCHEMBL3687851 0.80 KMT2A (0.48) KMT2AGAAMEN1OPRD1OPRM1
SCHEMBL9226091 0.80 GAA (0.42) KMT2AGAAMEN1L3MBTL1OPRD1
SCHEMBL9756292 0.79 ACHE (0.41) GAAL3MBTL1LPAR1ALDH1A1
SCHEMBL9756351 0.79 KMT2A (0.43) KMT2AGAAMEN1RECQLOPRD1
SCHEMBL9226703 0.79 HRH1 (0.44) KMT2AGAAMEN1L3MBTL1RECQL
SCHEMBL9228916 0.78 HRH1 (0.48) KMT2AGAAMEN1L3MBTL1OPRK1
SCHEMBL5667487 0.77 OPRK1 (0.45) KMT2AGAAMEN1OPRD1OPRM1

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
US-5382600-A 3,3-diphenylpropylamines and pharmaceutical compositions thereof PHARMACIA AKTIEBOLAG (SE) 1995-01-17 US disclosed
EP-0325571-B1 NEW AMINES, THEIR USE AND PREPARATION Kabi Pharmacia AB (SE) 1991-08-07 EP disclosed
EP-0354234-A1 NEW AMINES, THEIR USE AND PREPARATION KabiVitrum AB (SE) 1990-02-14 EP disclosed
WO-1989006644-A1 NEW AMINES, THEIR USE AND PREPARATION KABIVITRUM AB (SE) 1989-07-27 WO disclosed
EP-0325571-A1 New amines, their use and preparation Kabi Pharmacia AB (SE) 1989-07-26 EP disclosed