SCHEMBL6586331

SCHEMBL6586331

COC(=O)C1C[C@@H](OC)CN1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.41
KMT2A Q03164 1/20 0.40
KCNN4 O15554 1/20 0.37
ANPEP P15144 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
CHRM2 P08172 4/20 0.35
CHRM4 P08173 4/20 0.35
CHRM5 P08912 4/20 0.35
CHRM1 P11229 4/20 0.35
CHRM3 P20309 4/20 0.35

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
SCHEMBL3832522 1.00 MMP2 (0.41) MMP2KMT2AKCNN4ANPEPCYP1A2
SCHEMBL3544176 0.91 MMP2 (0.40) MMP2KMT2AKCNN4ANPEPCYP1A2
SCHEMBL5202136 0.91 MMP2 (0.40) MMP2KMT2AKCNN4ANPEPCYP1A2
SCHEMBL3549930 0.86 HTR3E (0.45) MMP2KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL30214730 0.86 MMP2 (0.45) MMP2KMT2AKCNN4ANPEPCYP3A4
SCHEMBL29276107 0.86 MMP2 (0.45) MMP2KMT2AKCNN4ANPEPCYP3A4
SCHEMBL29276109 0.86 MMP2 (0.45) MMP2KMT2AKCNN4ANPEPCYP3A4
SCHEMBL5205550 0.86 HTR3E (0.45) MMP2KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL992574 0.86 KCNN4 (0.43) MMP2KMT2AKCNN4ANPEPCYP1A2
SCHEMBL992573 0.86 KCNN4 (0.43) MMP2KMT2AKCNN4ANPEPCYP1A2

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-1465864-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE Warner-Lambert Company LLC (US) 2004-10-13 EP disclosed
WO-2003045912-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER-LAMBERT COMPANY LLC (US) 2003-06-05 WO disclosed