SCHEMBL7368582

SCHEMBL7368582

CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@H](C=O)CCCNC(=N)N

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GNPAT O15228 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HRH4 Q9H3N8 1/20 0.45
▸ MC4R P32245 5/20 0.44
▸ KISS1R Q969F8 1/20 0.43
▸ TACR1 P25103 1/20 0.42
▸ GRB2 P62993 2/20 0.42
▸ OPRM1 P35372 1/20 0.42
▸ MMP9 P14780 1/20 0.41
▸ MMP8 P22894 1/20 0.41
▸ MMP14 P50281 1/20 0.41
▸ NPY4R P50391 2/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ NPY1R P25929 1/20 0.41

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
SCHEMBL7371728 0.92 OPRD1 (0.47) SMN1; SMN2HRH4GRB2MMP9MMP8
SCHEMBL7370024 0.90 PSMB5 (0.46) SMN1; SMN2HRH4MMP9MMP8MMP14
SCHEMBL21360283 0.90 GNPAT (0.52) GNPATSMN1; SMN2KISS1RNPY4RNPY1R
SCHEMBL7374882 0.89 CTSS (0.56) —
SCHEMBL8373858 0.86 HDAC3 (0.42) SMN1; SMN2HRH4MC4RKISS1RMMP9
SCHEMBL30028835 0.86 GNPAT (0.53) GNPATHRH4MC4RKISS1RTACR1
SCHEMBL24178268 0.84 FNTA (0.47) GNPATSMN1; SMN2KISS1RNPY4RNPY1R
SCHEMBL6552717 0.84 NPY4R (0.49) MC4RKISS1RTACR1NPY4RNPY1R
SCHEMBL21167756 0.82 F2 (0.50) SMN1; SMN2NPY4RCASP1NPY1R
SCHEMBL11294449 0.81 GNPAT (0.70) GNPATKISS1RNPY4RNPY1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0675899-B1 NOVEL INHIBITORS OF FACTOR Xa CORVAS INT INC (US) 1999-03-17 — — EP disclosed
US-5883077-A PEPTIDES ALDEHYDE ANALOGUES CORVAS INTERNATIONAL, INC. (US) 1999-03-16 — — US disclosed
US-5739112-A ANTICOAGULANTS CORVAS INTERNATIONAL, INC. (US) 1998-04-14 — — US disclosed
WO-1994013693-A1 NOVEL INHIBITORS OF FACTOR Xa CORVAS INTERNATIONAL, INC. (US) 1994-06-23 — — WO disclosed
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