SCHEMBL7327687

SCHEMBL7327687

CC1CCN(C(=O)[C@H](CCCNc2cnccn2)N(C(=O)O)C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.41
CYP2C9 P11712 3/20 0.40
GRIN2B Q13224 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP3A4 P08684 1/20 0.40
EPHX2 P34913 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM5A P29375 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 1/20 0.33
WNT1 P04628 1/20 0.33
PSMB5 P28074 2/20 0.32
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
CASR P41180 1/20 0.32

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
SCHEMBL7336551 0.85 F2 (0.41) F2GRIN2BKMT2AHPGD
SCHEMBL7309173 0.74 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AHPGD
SCHEMBL7313776 0.74 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AHPGD
SCHEMBL7338817 0.73 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AHPGD
SCHEMBL7312251 0.71 POLB (0.42) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL7316493 0.71 HSD11B1 (0.42) GRIN2BALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7322630 0.71 L3MBTL1 (0.39) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL7335099 0.71 F2 (0.78) F2
SCHEMBL7335107 0.71 F2 (0.78) F2
SCHEMBL7336124 0.71 F2 (0.53) F2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5371091-A Anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 1994-12-06 US disclosed