SCHEMBL9286276

SCHEMBL9286276

CCC(c1ccccc1)N1CC(=O)N(C(c2ccccc2)c2ccccc2)c2ccc(CCCCCCN)cc2C1=O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTR2A P28223 1/20 0.33
HSD11B1 P28845 1/20 0.31
PDE2A O00408 1/20 0.30
MAOA P21397 1/20 0.30
UTS2R Q9UKP6 1/20 0.30

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
SCHEMBL7363301 0.89 ALOX15 (0.36) MEN1KMT2AHTR2A
SCHEMBL9284699 0.86 MEN1 (0.33) MEN1KMT2A
SCHEMBL9282865 0.85 ITGB3 (0.36) MEN1KMT2APDE2A
SCHEMBL9282885 0.84 ALDH1A1 (0.36) MEN1KMT2A
SCHEMBL9282414 0.81 ACHE (0.33) MEN1KMT2AHTR2A
SCHEMBL7363304 0.79 LTB4R (0.32)
SCHEMBL8959490 0.79 KDM4E (0.41)
SCHEMBL7357560 0.79 KDM4E (0.41)
Trifluoroacetic Acid SCHEMBL7320336 0.79 MEN1 (0.42) MEN1KMT2A
SCHEMBL7355380 0.77 ALDH1A1 (0.36) MEN1KMT2A

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
US-5403836-A Anticoagulants GENENTECH, INC. (US) 1995-04-04 US disclosed
US-5250679-A Nonpeptidyl platelet aggregation inhibitors having specificity for the GPIIb III.sub. receptor GENENTECH, INC. (US) 1993-10-05 US disclosed